4465-65-0 (4-差向脱水四环素盐酸盐,4-Epianhydrotetracycline Hydrochloride)

CAS号:
4465-65-0
中文名称:
4-差向脱水四环素盐酸盐
英文名称:
4-Epianhydrotetracycline Hydrochloride
分子式:
C22H23ClN2O7
分子量:
462.880225419998
简介:
4-Epianhydrotetracycline hydrochloride 是 Tetracycline.html" class="link-product" target="_blank">Tetracycline (HY-A0107) 的主要中间产物。4-Epianhydrotetracycline hydrochloride 对斑马鱼胚胎显示致死作用并诱导凋亡。4-Epianhydrotetracycline hydrochloride 抑制希瓦式菌属,大肠杆菌和绿脓杆菌,MIC 值分别为 2,1 和 64 mg/L。

4-差向脱水四环素盐酸盐(4465-65-0)名称与标识符

名称

中文别名:
4-差向脱水四环素盐酸盐;4-差向脱水四环素;4-差向脱水四环素 EP标准品;4-差向脱水四环素 USP标准品;4-差向脱水四环素盐酸盐 标准品;4-差向脱水四环素 盐酸盐;
英文别名:
4-Epianhydrotetracycline Hydrochloride;4-Epi-Anhydrotetracycline Hydrochloride;4-EPIANHYDROTETRACYCLINE HYDROCHLORIDE, EP STANDARD;4-Epianhydrotetracycline HCl;4-Epianhydrotetracycline (hydrochloride);XBSQEFHDCDFNJU-MOMXNFOMSA-N;2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE, (4R-(4.ALPHA.,4A.BETA.,12A.BETA.))-;Q27236226;CS-0129415;DTXSID40873790;2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, hydrochloride (1:1), (4R,4aS,12aS)-;(4R,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide hydrochloride;EATC;Epianhydrotetracycline (hydrochloride);4-epi-Ahydrochloride;HY-136439;06Y7HM8DBA;4-Epianhydrotetracycline hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material;AKOS040755360;4-EPIANHYDROTETRACYCLINE HYDROCHLORIDE [USP-RS];CHEMBL1950579;(4R,4aS,12aS)-4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide Hydrochloride;4-Epianhydrotetracycline hydrochloride, United States Pharmacopeia (USP) Reference Standard;(4R,4aS,12aS)-4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide, monohydrochloride;2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE, (4R,4AS,12AS)-;4-Epianhydrotetracycline hydrochloride, VETRANAL(TM), analytical standard;2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE, 4-EPIMER;4465-65-0;4-Epianhydrotetracycline hydrochloride, European Pharmacopoeia (EP) Reference Standard;DA-70090;AKOS030242117;UNII-06Y7HM8DBA;(4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride;4-Epianhydrotetracycline Hydrochloride Hydrate (>85%);

标识符

MDL:
MFCD00151455
InChIKey:
SPFAOPCHYIJPHJ-MOMXNFOMSA-N
Inchi:
1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16+,22-;/m0./s1
SMILES:
Cl.O[C@@]12C(=C(C(N)=O)C([C@@H]([C@@H]1CC1C(C)=C3C=CC=C(C3=C(C=1C2=O)O)O)N(C)C)=O)O

4-差向脱水四环素盐酸盐(4465-65-0)物化性质

实验特性

  • LogP : 1.95810
  • PSA : 161.39000
  • 沸点 : No data available
  • 熔点 : 220 °C
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : 橘黄色粉末
  • 溶解性 : 溶于水
  • 密度 : No data available

计算特性

  • 精确分子量 : 462.11900
  • 氢键供体数量 : 5
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 2
  • 同位素质量 : 427.150526
  • 重原子数量 : 32
  • 复杂度 : 855
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 708
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 163

4-差向脱水四环素盐酸盐(4465-65-0)推荐厂家 更多厂家(13)

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上海源叶生物科技有限公司 15026964105
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上海赛可锐生物科技有限公司 13003271654
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上海赛可锐生物科技有限公司 13003271654
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4-差向脱水四环素盐酸盐(4465-65-0)上下游

4-差向脱水四环素盐酸盐(4465-65-0) MSDS

基础信息

Name:4-Epi-Anhydrotetracycline Hydrochloride "Can be used as Secondary Material Safety Data Sheet
Synonym:None known
CAS:4465-65-0
Section 1 - Chemical Product ? MSDS Name:4-Epi-Anhydrotetracycline Hydrochloride "Can be used as Secondary Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
4465-65-04-Epianhydrotetracycline Hydrochloride97%unlisted
Hazard Symbols: XN
Risk Phrases: 63

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Possible risk of harm to the unborn child.The toxicological properties of this material have not been fully investigated.Light sensitive.Moisture sensitive.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated.
Chronic:
May cause liver and kidney damage. May cause reproductive and fetal effects.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Place under an inert atmosphere. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Store protected from light. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. Store and handle protected from air. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from moisture. Store protected from light.
Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4465-65-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: orange
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 220 deg C
Solubility in water: in water: 1:1100 m/v
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 464.89

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, moisture, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, air.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 4465-65-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Epianhydrotetracycline Hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 63 Possible risk of harm to the unborn child.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4465-65-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4465-65-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4465-65-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A