78-44-4 (卡利普多,Carisoprodol)

快速询单

结构式：

卡利普多MOL文件

CAS号：

78-44-4

中文名称：

卡利普多

英文名称：

Carisoprodol

安全信息：

分子式：

C₁₂H₂₄N₂O₄

分子量：

260.3300

简介：

卡利普多（Carisoprodol）是一种肌肉松弛剂类药物，主要用于治疗慢性背痛。卡利普多是一种临床处方药。

API：

Carisoprodol

卡利普多(78-44-4)名称与标识符

名称

中文别名：

卡利普多;肌安宁;卡来梯;异氨甲丙二酯;异丙安宁;异丙基眠尔通;异庚二酯;卡立普;卡立普多;N,N'-二(2,4,6-三氯苯基)脲;卡立普-D3;卡立普多 EP标准品;卡利普标准品;卡利普多标准品;异丙基氨甲丙二酯;异丙基甲丙氨酯;卡立普多（卡来梯,肌安宁,异氨甲丙二酯,异丙眠尔通）;异丙基甲丁双脲;异丙基氨基甲酸2-[(氨基甲酰氧基)甲基]-2-甲基戊酯;卡立普多(对照品);

英文别名：

Carisoprodol;isopropylcarbamic acid ester with 2-(hydroxymethyl)-2-methylpentyl carbamate;n-isopropyl 2-methyl-2-propyl-1,3-propanediol dicarbamate;(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester;(1-methylethyl)-carbamicaci2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl;(1-methylethyl)carbamicacid2-(((aminocarbonyl)oxy)methyl)-2-methylpentyles;1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylcarbamate;2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate;1-Carbamoyloxy-2-isopropylcarbamoyloxymethyl-2-methyl-pentan;1-Carbamoyloxy-3-isopropylcarbamoyloxy-2-methyl-2-propyl-propan;4-Methyl-4-propyl-2,6-dioxa-heptandisaeure-amid-isopropylamid;4-methyl-4-propyl-2,6-dioxa-heptanedioic acid amide-isopropylamide;Apesan;Arusal;Brianil;Calenfa;Carisol;cb8019;Flexal;Mioril;N-isopropyl 2-methyl-2-propyl-propane-1,3-diol di(carbamate);RELA;Sanoma;Carisoprodol 2-methyl-2-n-propyl-1,3-propanediol dicarbamate;2-[(Carbamoyloxy)methyl]-2-methylpentyl Isopropylcarbamate;Isopropylcarbamic Acid 2-[(Carbamoyloxy)methyl]-2-methylpentyl Ester;Isomeprobamate;Carisoprodate;Carisoprodatum;Isobamate;Isoprotane;Isoprothane;Carisoma;Isopropyl meprobamate;SOMA;Mioratrina;Mioartrina;Somalgit;Atonalyt;Flexartal;Skutamil;Miolisodal;Relasom;Nospasm;Somanil;Carlsoprol;Carisoprodolum;Stialgin;Somadril;Carsodal;Domarax;Mioriodol;Mediquil;Izoprotan;Isoprotan;Caprodat;Diolene;Carlsoma;Carlsodol;Flexidon;Flexagilt;Caridolin;Meprodat;Listaflex;Flexagit;Fibrosona;Chinchen;C;

标识符

MDL：

MFCD00057661

InChIKey：

OFZCIYFFPZCNJE-UHFFFAOYSA-N

Inchi：

1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)

SMILES：

O(C(N([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])OC(N([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])[H]

卡利普多(78-44-4)物化性质

实验特性

LogP : 3.11390
PSA : 90.65000
Merck : 1842
折射率 : 1.4560 (estimate)
水溶性 : <0.1 g/100 mL at 19.5 ºC
沸点 : 170°C/2mmHg(lit.)
熔点 : 92.0 to 96.0 deg-C
闪点 : 209.9±24.0 °C
密度 : 1.1035 (rough estimate)

计算特性

精确分子量 : 260.17400
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 9
重原子数量 : 18
复杂度 : 281
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.9
互变异构体数量 : 4
表面电荷 : 0
拓扑分子极性表面积 : 90.6

卡利普多(78-44-4)安全信息

符号： GHS07
RTECS号： FB3325000
WGK Germany： 3
安全术语： S36
安全说明： S36
风险术语： R22
危险品标志： Xn
危险品运输编号： NONH for all modes of transport
危害声明：H302
警示性声明：P264-P270-P301+P312+P330-P501
提示语：警告
储存条件：储存温度2-8°C
危险类别码： R22
信号词： Warning
毒性： LD50 in mice, rats (mg/kg): 2340, 1320 orally; 980, 450 i.p. (Berger)

卡利普多(78-44-4)国际标准相关数据

EINECS：

201-118-7

卡利普多(78-44-4)海关数据

海关编码：

2924199090

海关数据：

中国海关编码：

2924199090

概述：

2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 包装

Summary：

2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

卡利普多(78-44-4)推荐厂家更多厂家(65)

公司名称	手机号/电话	联系人	QQ	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284	询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145	询单
广东翁江化学试剂有限公司	13927875076 0751-2815987	罗雪云	3007432263	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
湖北云镁科技有限公司	18327059871 027-59206672	方经理	235010015	询单
湖北诺纳科技有限公司	17386169806 027-59209883	张经理	1141855188	询单
湖北诺纳科技有限公司	17386169806 027-59209883	张经理	1141855188	询单

卡利普多(78-44-4)相关文献

1. Interaction between carisoprodol and bovine serum albumin and effect of β-cyclodextrin on binding: insights from molecular docking and spectroscopic techniques
Mallavva B. Bolattin,Sharanappa T. Nandibewoor,Shrinivas D. Joshi,Sheshagiri R. Dixit,Shivamurti A. Chimatadar RSC Adv. 2016 6 63463
2. Landfill leachate contributes per-/poly-fluoroalkyl substances (PFAS) and pharmaceuticals to municipal wastewater
Jason R. Masoner,Dana W. Kolpin,Isabelle M. Cozzarelli,Kelly L. Smalling,Stephanie C. Bolyard,Jennifer A. Field,Edward T. Furlong,James L. Gray,Duncan Lozinski,Debra Reinhart,Alix Rodowa,Paul M. Bradley Environ. Sci.: Water Res. Technol. 2020 6 1300
3. Exploiting the high oxidation potential of carisoprodol on a boron-doped diamond electrode: an improved method for its simultaneous determination with acetaminophen and caffeine
Ana Paula Pires Eisele,Camila Farinha Valezi,Elen Rom?o Sartori Analyst 2017 142 3514
4. Boron-doped diamond: current progress and challenges in view of electroanalytical applications
Kateryna Muzyka,Jianrui Sun,Tadesse Haile Fereja,Yixiang Lan,Wei Zhang,Guobao Xu Anal. Methods 2019 11 397
5. Contaminants of emerging concern in fresh leachate from landfills in the conterminous United States
Jason R. Masoner,Dana W. Kolpin,Edward T. Furlong,Isabelle M. Cozzarelli,James L. Gray,Eric A. Schwab Environ. Sci.: Processes Impacts 2014 16 2335
6. Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand
Zhenfang Zeng,Jiehui Cai,Fuyan Li,Yanying Weng,Qiuping Huang,Honglan Yang,Qiuchan Huang,Youhuan Wei RSC Adv. 2021 11 40040
7. Standardised thin-layer chromatographic systems for the identification of drugs and poisons. A review
A. H. Stead,R. Gill,T. Wright,J. P. Gibbs,A. C. Moffat Analyst 1982 107 1106
8. Economically feasible strategy for confirmation of pharmaceuticals in hospital effluent using screening analysis
Renata M. Cardoso,Alexsandro Dallegrave,Raquel W. Becker,Débora S. Araújo,Carla Sirtori Anal. Methods 2020 12 4691
9. Pharmaceutical crystallization with nanocellulose organogels
Celia Ruiz-Palomero,Stuart R. Kennedy,M. Laura Soriano,Christopher D. Jones,Miguel Valcárcel,Jonathan W. Steed Chem. Commun. 2016 52 7782
10. Advancements in six-membered cyclic carbonate (1,3-dioxan-2-one) synthesis utilizing carbon dioxide as a C1 source
Akram Hosseinian,Sepideh Farshbaf,Robab Mohammadi,Aazam Monfared,Esmail Vessally RSC Adv. 2018 8 17976

卡利普多(78-44-4)参考资料

Reaxys RN：

1791537

Beilstein：

201-118-7

PubChem CID：

329749238

卡利普多(78-44-4) MSDS

基础信息

Section 1. Chemical Product and Company Identification
    Carisoprodol        Catalog
    Common Name/
    Number(s).
    Trade Name
    CAS#        78-44-4
    Manufacturer
    RTECS        FB3325000
    SPECTRUM QUALITY PRODUCTS INC.
    TSCA        TSCA 8(b) inventory: No
    products were found.
    Commercial Name(s)        Not available.
    CI# Not available.
    Synonym        2-Methyl-2-Propyl-1,3-Propanediol Carbamate Isopropylcarbamate
    IN CASE OF EMERGENCY
    Carisoprodol
    Chemical Name
    Chemical Family        Not available.        CALL (310) 516-8000
    C12-H24-N2-O4
    Chemical Formula
    SPECTRUM QUALITY PRODUCTS INC.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)
    Name        CAS #        % by Weight
    1) Carisoprodol        78-44-4        100
    Toxicological Data        Carisoprodol:
    on Ingredients        ORAL (LD50):        Acute: 1320 mg/kg [Rat]. 1800 mg/kg [Mouse].

Section 3. Hazards Identification
    Potential Acute Health Effects Hazardous in case of ingestion, of inhalation.
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.
    MUTAGENIC EFFECTS: Not available.
    Effects
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Classified Development toxin [POSSIBLE].
    The substance may be toxic to lungs, liver, upper respiratory tract, central nervous system (CNS), throat.
    Repeated or prolonged exposure to the substance can produce target organs damage.
    Carisoprodol

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
    least 15 minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash
    clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Serious Skin Contact        Not available.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
    medical attention.
    Serious Inhalation        Not available.
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.
    Flammable Limits        Not available.
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Fire Hazards in Presence of Not available.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    Special Remarks on        Not available.
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
    on the contaminated surface and allow to evacuate through the sanitary system.
    Carisoprodol

Section 7. Handling and Storage
    Precautions        Keep locked up.. Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk,
    evaporate the residue under a fume hood. Ground all equipment containing material. Do not ingest. Do not
    breathe dust. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory
    equipment. If ingested, seek medical advice immediately and show the container or the label.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat.
    Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    a Large Spill        specialist BEFORE handling this product.
    Exposure Limits        Not available.

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Crystalline solid.)        Odor        Not available.
    Bitter. (Slight.)
    Taste
    Molecular Weight        260.33 g/mole
    Not available.
    Color
    Not applicable.
    pH (1% soln/water)
    Boiling Point        Not available.
    92.5°C (198.5°F)
    Melting Point
    Critical Temperature        Not available.
    Specific Gravity        Not available.
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.
    Not available.
    Volatility
    Odor Threshold        Not available.
    Water/Oil Dist. Coeff.        Not available.
    Ionicity (in Water)        Not available.
    Dispersion Properties        Very slightly dispersed in methanol, diethyl ether, n-octanol, acetone.
    Is not dispersed in cold water, hot water.
    Solubility        Very slightly soluble in methanol, diethyl ether, n-octanol, acetone.
    Insoluble in cold water, hot water.

Section 10. Stability and Reactivity Data
    Stability        The product is stable.
    Instability Temperature        Not available.
    Conditions of Instability        Not available.
    Incompatibility with various Not available.
    substances
    Carisoprodol
    Corrosivity        Not available.
    Special Remarks on        Not available.
    Reactivity
    Special Remarks on        Not available.
    Corrosivity
    Polymerization        Will not occur.

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.
    Toxicity to Animals        Acute oral toxicity (LD50): 1320 mg/kg [Rat].
    Chronic Effects on Humans        CARCINOGENIC EFFECTS: (Inadequate study.) by NTP.
    DEVELOPMENTAL TOXICITY: Classified Development toxin [POSSIBLE].
    May cause damage to the following organs: lungs, liver, upper respiratory tract, central nervous system (CNS),
    throat.
    Other Toxic Effects on        Hazardous in case of ingestion, of inhalation.
    Humans
    Special Remarks on        Not available.
    Toxicity to Animals
    Special Remarks on        Not available.
    Chronic Effects on Humans
    Special Remarks on other        Not available.
    Toxic Effects on Humans

Section 12. Ecological Information
    Ecotoxicity        Not available.
    BOD5 and COD        Not available.
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    Toxicity of the Products        The products of degradation are less toxic than the product itself.
    of Biodegradation
    Special Remarks on the        Not available.
    Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).
    Identification        Not applicable.
    Not applicable.
    Special Provisions for
    Transport
    Carisoprodol
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    Federal and State
    cause cancer, birth defects or other reproductive harm, which would require a warning under the statute:
    Regulations
    Carisoprodol
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause reproductive harm (female) which would require a warning under the statute: Carisoprodol
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause cancer which would require a warning under the statute: Carisoprodol
    TSCA 8(d) H and S data reporting: Carisoprodol: June 1999
    California        California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause cancer which would require a warning under the statute: Carisoprodol
    Proposition 65
    Warnings
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.
    R40- Possible risks of irreversible
    effects.
    R63- Possible risk of harm to the
    unborn child.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    a
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Not applicable.
    Carisoprodol
    Lab coat.
    Not applicable.

SECTION 16 - ADDITIONAL INFORMATION
N/A