[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate（CAS号：18209-14-8）

N-甲基丝裂霉素a

基本信息

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CAS号

18209-14-8

分子式

C17H21N3O6

分子量

363.37 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酮类

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

精细化工产品表面活性剂阴离子表面活性剂

基本物理性质

沸点

568°Cat760mmHg

密度

1.46

闪点

297.3°C

折射率

1.633

SMILES

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CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)OC

InChI

InChI=1S/C17H21N3O6/c1-7-12(21)11-10(13(22)14(7)24-3)8(6-26-16(18)23)17(25-4)15-9(19(15)2)5-20(11)17/h8-9,15H,5-6H2,1-4H3,(H2,18,23)/t8-,9+,15+,17-,19?/m1/s1

InChIKey

FMMDHGNWABITNT-JZWICRQDSA-N

LogP

-0.6212999999999982

拓扑极性表面积

111.17000000000002 Å²

氢键供体/受体

2 / 9

复杂度

802

同义词与引用数据

英文

18209-14-8
DTXSID40939522
Q27279211
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6,8a-alpha-dimethoxy-1,5-dimethyl-8-(hydroxymethyl)-, carbamate (ester)
FMMDHGNWABITNT-JZWICRQDSA-N
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-1,5-dimethyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-
UNII-GOQ83S599K
N-Methyl Mitomycin A
N-METHYL-MITOMYCIN A
AKOS030241636
Mitomycin F
N-Methylmitomycin A
[(4S,6S,7R,8S)-7,11-dimethoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-1,5-dimethyl-, (1aS,8S,8aR,8bS)-
AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-6,8A-DIMETHOXY-1,5-DIMETHYL-, (1AS,8S,8AR,8BS)-
(6,8a-Dimethoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate
CHEMBL102817
GOQ83S599K
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-1,5-dimethyl-,(1aS,8S,8aR,8bS)-
6-O-Methyl Mycophenolic Acid Methyl Ester-d9
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-1,5-d
004820
1-Methyl-3-chlormethyl-pyrrolidin
3-Chlormethyl-1-methyl-pyrrolidin
3-chloromethyl-1-methylpyrrolidine
3-chloromethyl-1-methyl-pyrrolidine
AC1NP9CZ
CTK5A8702
N-metil-3-clorometilpirrolidina
N-metylmitomycin A
SBB012983