BMS-181174

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25N5O7S2
Molecular Weight	547.604
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(N)=O)C(=O)C(NCCSSC5=CC=C(C=C5)[N+]([O-])=O)=C(C)C4=O

InChI

InChIKey=ZNDJOCJUBZZAMN-USYHLRJESA-N

InChI=1S/C23H25N5O7S2/c1-11-17(25-7-8-36-37-13-5-3-12(4-6-13)28(32)33)20(30)16-14(10-35-22(24)31)23(34-2)21-15(26-21)9-27(23)18(16)19(11)29/h3-6,14-15,21,25-26H,7-10H2,1-2H3,(H2,24,31)/t14-,15+,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H25N5O7S2
Molecular Weight	547.604
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:38:28 GMT 2023` Edited by `admin` on `Sat Dec 16 15:38:28 GMT 2023`
Record UNII	27O4QKT84G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-181174

Code

English

(1AS,8S,8AR,8BS)-8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-6-((2-((4-NITROPHENYL)DITHIO)ETHYL)AMINO)AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE

Systematic Name

English

N-7-(2-(NITROPHENYLDITHIO)ETHYL)MITOMYCIN C

Common Name

English

BMY-25067

Code

English

AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-4,7-DIONE, 8-(((AMINOCARBONYL)OXY)METHYL)-1,1A,2,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-6-((2-((4-NITROPHENYL)DITHIO)ETHYL)AMINO)-, (1AS,8S,8AR,8BS)-

Systematic Name

English

Code System Code Type Description

CAS

95056-36-3

Created by admin on Sat Dec 16 15:38:28 GMT 2023 , Edited by admin on Sat Dec 16 15:38:28 GMT 2023

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FDA UNII

27O4QKT84G

Created by admin on Sat Dec 16 15:38:28 GMT 2023 , Edited by admin on Sat Dec 16 15:38:28 GMT 2023

PRIMARY

EPA CompTox

DTXSID90241743

Created by admin on Sat Dec 16 15:38:28 GMT 2023 , Edited by admin on Sat Dec 16 15:38:28 GMT 2023

PRIMARY

PUBCHEM

56855

Created by admin on Sat Dec 16 15:38:28 GMT 2023 , Edited by admin on Sat Dec 16 15:38:28 GMT 2023

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Related Record Type Details


					27O4QKT84G

BMS-181174

ACTIVE MOIETY