Methyl (13S,15S,17S)-13-[(2β,3β,4β,5α,12β,19α)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0（CAS号：53643-48-4）

长春地辛

基本信息

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CAS号

53643-48-4

分子式

C43H55N5O7

分子量

753.94 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Cryst.

熔点

230-232°

沸点

°Cat760mmHg

密度

1.41

折射率

1.707

比旋光度

D25 +39.4° (c = 1.0 in methanol)

SMILES

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CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O

InChI

InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,27,34-36,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,27?,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1

InChIKey

RJHLHHANMLUOBE-YOQHIDJQSA-N

LogP

2.732400000000003

pKa

pKa (DMF 66%) 5.39, 7.36; (H2O) 6.04, 7.67(at 25℃)

拓扑极性表面积

164.82000000000002 Å²

氢键供体/受体

6 / 12

复杂度

1570

安全信息

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危险类别

Class 6.1(a) Class 6.1(a)

同义词与引用数据

英文

CHEBI:36373
methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
D06304
Compound 112531;
HMS2090E15
CHEMBL219146
DTXSID6023739
3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine
AB01275494-01
Q416660
Vindesine (USAN/INN)
NS00032802
methyl (5S,7S,9S)-9-[(2b,3b,4b,5a,12b,19a)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
Q-100607
BRD-K59753975-065-01-3
methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Desacetylvinblastine amide sulfate
AB00698294-03
EX-A3837
FS-7032
SCHEMBL4420
Desacetylvinblastine amide
HY-16514
AKOS037623357
AC-36879
53643-48-4
3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine
HHJUWIANJFBDHT-KOTLKJBCSA-N
vindesine
methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Vincaleukoblastine, 3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-