302-53-4 (D,L-卡比多巴,D,L-Carbidopa)

CAS号:
302-53-4
中文名称:
D,L-卡比多巴
英文名称:
D,L-Carbidopa
分子式:
C10H14N2O4
分子量:
226.229162693024

D,L-卡比多巴(302-53-4)名称与标识符

名称

中文别名:
alpha-肼基-alpha-甲基-beta-(3,4-二羟基苯基)丙酸;卡比多巴;D,L-卡比多巴;
英文别名:
Benzenepropanoic acid, a-hydrazinyl-3,4-dihydroxy-a-methyl-;D,L-Carbidopa;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;(S)-CARBIDOPA;CARBIDOPA EDMF;CARBIDOPAANHYDROUS;CarbidopaUsp28;Ep5;Hydrazino-a-methyldopa;KINSON;mk486;n-aminomethyldopa;GS-3140;MLS006011894;BSPBio_003193;NINDS_000168;J-017301;.alpha.-Methyldopahydrazine;SCHEMBL2688295;Lodosin;SPBio_001250;TZFNLOMSOLWIDK-UHFFFAOYSA-N;Spectrum3_001517;Spectrum_001314;CHEMBL1179357;Carbidopa, dl-;NCGC00095918-01;Carbidopa (monohydrate);Hydrazino-.alpha.-methyldopa;Benzenepropanoic acid,4-dihydroxy-.alpha.-methyl-, (.+-.)-;14585-65-0;FT-0623459;S-(-)-Carbidopa, >=98% (TLC), powder;NSC-92521;Hydrocinnamic acid, .alpha.-hydrazino-3,4-dihydroxy-.alpha.-methyl-, L-;NSC92521;CHEBI:94430;KBioSS_001794;CCG-40066;alpha-Methylhydrazinodopa;(2RS)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoic Acid (rac-Carbidopa);DL-.ALPHA.-HYDRAZINO-3,4-DIHYDROXY-.ALPHA.-METHYLHYDROCINNAMIC ACID;Benzenepropanoic acid, .alpha.-hydrazino-3,4-dihydroxy-.alpha.-methyl-, (S)-;FT-0664248;D,L CARBIDOPA;L-.alpha.-Methyl-.beta.-(3,4-dihydroxyphenyl)-.alpha.-hydrazinopropionic acid;MK 846;KBio2_001794;dl-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid;Spectrum4_000603;(-)-L-.alpha.-Hydrazino-3,4-dihydroxy-.alpha.-methylhydrocinnamic acid;3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;KBio2_004362;(-)-l-.alpha.-Hydrazino-3,4-dihydroxy-.alpha.-methylhydrocinnamic acid monohydrate;l-alpha-hydrazino-alpha-methyl-beta-(3,4-dihydroxyphenyl)propionic acid;KBio2_006930;3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid-, (S)-;FT-0602918;SR-05000001752-1;NCGC00015185-03;MK 485;BENZENEPROPANOIC ACID, .ALPHA.-HYDRAZINO-3,4-DIHYDROXY-.ALPHA.-METHYL-;IDI1_000168;Benzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-;dl-Carbidopa;NCGC00015185-02;Carbidopa DL-form [MI];SR-05000001752;UNII-555UP07D5N;BRD-A69512159-001-03-2;BRD-A69512159-001-01-6;dl-MK 485;302-53-4;DivK1c_000168;DL-Carbidopa [WHO-DD];555UP07D5N;SPECTRUM1502150;NCGC00095918-02;AKOS005721170;3-(3,4-Dihydroxyphenyl)-2-hydraZinyl-2-methylpropanoic acid (DL-N(NH2)aMeTyr(3-OH)-OH);KBioGR_001126;adjunct to levodopa in parkinsonism;HMS2092D16;Pharmakon1600-01502150;NCGC00015185-04;Carbidopa, dl- anhydrous;KBio3_002693;KBio1_000168;SMR003309278;NSC758190;NSC 92521;L-.alpha.-Methyl-.alpha.-hydrazino-.beta.-(3,4-dihydroxyphenylpropionic acid;alpha-Hydrazino-3,4-Dihydroxy-alpha-Methyl-Benzenepropanoic Acid;NS00125562;MFCD02114422;Spectrum5_001039;SBI-0051733.P002;Spectrum2_001115;Carbidopa anhydrous, DL-;HMS500I10;L-.alpha.-Methyldopahydrazine;DTXSID80860427;Q27166292;alpha-Hydrazino-alpha-methyl-beta-(3,4-dihydroxyphenyl)propionic acid;DS-010214;DB-047475;BRD-A69512159-001-06-5;STL146415;DB-229777;Carbidopa 1-hydrate;BBL011329;

标识符

InChIKey:
TZFNLOMSOLWIDK-UHFFFAOYSA-N
Inchi:
1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)
SMILES:
OC(C(C)(CC1C=CC(=C(C=1)O)O)NN)=O

D,L-卡比多巴(302-53-4)物化性质

实验特性

  • LogP : 1.03810
  • PSA : 115.81000
  • 沸点 : 528.7±50.0 °C(Predicted)
  • 熔点 : 203-206°C
  • 密度 : 1.420±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 226.09500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 226.09535693g/mol
  • 重原子数量 : 16
  • 复杂度 : 261
  • 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) : -2.2
  • 拓扑分子极性表面积 : 116Ų

D,L-卡比多巴(302-53-4)安全信息

D,L-卡比多巴(302-53-4)海关数据

海关编码:
2928000090
海关数据:

中国海关编码:

2928000090

概述:

2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

D,L-卡比多巴(302-53-4)推荐厂家 更多厂家(10)