42399-41-7 (地尔硫卓,Diltiazem)

CAS号:
42399-41-7
中文名称:
地尔硫卓
英文名称:
Diltiazem
分子式:
C22H26N2O4S
分子量:
414.517844676971
简介:
Diltiazem 是一种口服 L 型钙通道 (L-type Ca2+ channel) 阻滞剂。 Diltiazem 具有抗高血压和抗心律失常作用。Diltiazem 可用于心律失常、高血压和心绞痛的研究。

地尔硫卓(42399-41-7)名称与标识符

名称

中文别名:
地尔硫卓;5-[2-(二甲基氨基)乙基]-2-(4-甲氧基苯基)-4-氧代-2,3,4,5-四氢-1,5-苯并硫氮杂卓-3-基乙酸酯;
英文别名:
Diltiazem;(+)-5-[2-(Dimethylamino)ethyl]-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester);(2s-cis)-dro-2-(4-methoxyphenyl);1,5-benzothiazepin-4(5h)-one,3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihy;1,5-benzothiazepin-4(5h)-one,3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihy;5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate;d-cis-diltiazem;(+)-CIS-DILTIAZEM;Diltiazem (free base);Adizem XL;Coras;DILTIAZEN;TILDIEM300LP;NCGC00024309-05;DILTIAZEM [VANDF];Bio1_000860;Dilticard;(2S,3S)-5-[2-(dimethylamino)ethyl]-2-[4-(methyloxy)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate;diltiazem;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester;Acetic acid (S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester;NCGC00024309-04;[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;8-Chloro-1-methyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene;EE92BBP03H;DTXSID9022940;RG 83606 (Hydrochloride);NS00068380;tetrahydrobenzo;Dilacor-XR;Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-ylacetate;BRD-K24023109-003-20-3;NCGC00024309-27;HMS2089H09;UNII-EE92BBP03H;NCGC00024309-06;C08DB01;BSPBio_001311;C05AE03;NCGC00024309-09;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-;Surazem (TN);Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; hydrochloride;(+)-cis-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester;EINECS 260-060-0;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(cis-(+)-Diltiazem);DB00343;Ditiaz;[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate;cis-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;Dilt-cd;EN300-22049448;D07845;Diltiazemum;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester (Diltiazem);Prestwick3_000134;DILTIAZEM [MI];C9F;Prestwick1_000134;GTPL2298;BDBM50004704;BRN 3573079;Cardizem (Hydrochloride);W-106274;NCGC00024309-21;Dilzen;HY-B0632;DITIAZ [VANDF];HMS1989B13;BRD-K24023109-001-02-5;Bio1_000371;methoxyphenyl)-4-oxo-2,3,4,5-;Lopac0_000327;CCG-204422;42399-41-7;42399-41-7 (free base);Prestwick2_000134;HMS1791B13;DTXCID30196864;Surazem;AKOS015897257;CHEMBL23;(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;cis-Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester;SDCCGSBI-0050315.P002;Diltiazem [INN:BAN];Diltiazem extended release;Anoheal;EINECS 255-796-4;ethyl 3-amino-1,2,4-triazole-1-carboxylate;[b][1,4]thiazepin-3-yl acetate;1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(U2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (+)-CIS-;NCGC00024309-10;BRD-K24023109-003-11-2;A825887;MK-793 (Malate);Q422229;SPBio_002147;NCGC00024309-08;Diltiazem free base;DTXSID50881104;Cardil;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo(b)(1,4)thiazepin-3-yl acetate;LITHIUMDICYCLOHEXYLAMIDE;(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate;DTXCID202940;BSPBio_000208;BRD-K24023109-003-03-9;SCHEMBL17776;Cardizem;NCGC00024309-07;BPBio1_000230;Dilcontin;HSDB 6528;CAS-42399-41-7;Dilren;Diltiazemum [INN-Latin];(+)-5-(2-(DIMETHYLAMINO)ETHYL)-CIS-2,3-DIHYDRO-3-HYDROXY-2-(P-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE ACETATE (ESTER);Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo(b)(1,4)thiazepin-3-yl ester;Diltiazem (INN);56209-45-1;Tocris-0685;AC-936;Tox21_110898_1;(+)-diltiazem;5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(Diltiazem)Acetic acid;(2S-cis)-3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;Diltiazemum (INN-Latin);Endrydil;Tox21_110898;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-;BIDD:GT0548;Acalix;Bio1_001349;D-(cis)-diltiazem;C06958;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester;Prestwick0_000134;NCGC00024309-02;NCGC00024309-11;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate;NCGC00024309-17;CS-0009567;Dilta-Hexal;(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester;CHEBI:101278;(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-;Incoril AP;DILTIAZEM [HSDB];Tiazac;DILTIAZEM [WHO-DD];DILTIAZEM [INN];NCGC00024309-30;G12770;BRD-K24023109-003-26-0;BRD-K24023109-003-25-2;

标识符

MDL:
MFCD00868239
InChIKey:
HSUGRBWQSSZJOP-RTWAWAEBSA-N
Inchi:
1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
SMILES:
S1C2C=CC=CC=2N(CCN(C)C)C([C@@H]([C@@H]1C1C=CC(=CC=1)OC)OC(C)=O)=O

地尔硫卓(42399-41-7)物化性质

实验特性

  • LogP : 3.43350
  • PSA : 84.38000
  • 沸点 : 594.4 °C at 760 mmHg
  • 闪点 : 313.3 °C
  • 密度 : 1.26

计算特性

  • 精确分子量 : 414.16100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 414.161328
  • 重原子数量 : 29
  • 复杂度 : 565
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 3.1
  • 拓扑分子极性表面积 : 84.4

地尔硫卓(42399-41-7)国际标准相关数据

EINECS:
255-796-4

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