VINCRISTINE PIPERIDINE RING OXIDATIVE CLEAVAGE METABOLITE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H54N4O10
Molecular Weight	810.9311
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VINCRISTINE PIPERIDINE RING OXIDATIVE CLEAVAGE METABOLITE

Structure Search

SMILES

[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@H](CC(=O)CC)CNCCC7=C6NC8=CC=CC=C78)C(=O)OC)N(C=O)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC

InChI

InChIKey=GHCGXAFOOQYBDC-YHVSJQPSSA-N

InChI=1S/C45H54N4O10/c1-7-28(52)20-27-23-44(40(53)57-5,36-30(14-17-46-24-27)29-12-9-10-13-33(29)47-36)32-21-31-34(22-35(32)56-4)49(25-50)38-43(31)16-19-48-18-11-15-42(8-2,37(43)48)39(59-26(3)51)45(38,55)41(54)58-6/h9-13,15,21-22,25,27,37-39,46-47,55H,7-8,14,16-20,23-24H2,1-6H3/t27-,37-,38+,39+,42+,43+,44-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H54N4O10
Molecular Weight	810.9311
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:07 GMT 2023` Edited by `admin` on `Sat Dec 16 08:09:07 GMT 2023`
Record UNII	BOK59Q8W6X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VINCRISTINE PIPERIDINE RING OXIDATIVE CLEAVAGE METABOLITE

Common Name

English

VINCRISTINE METABOLITE M1

Common Name

English

ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-1-FORMYL-3-HYDROXY-16-METHOXY-15-((5R,7S)-1,2,3,4,5,6,7,8-OCTAHYDRO-7-(METHOXYCARBONYL)-5-(2-OXOBUTYL)AZONINO(5,4-B)INDOL-7-YL)-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA

Systematic Name

English

Code System Code Type Description

FDA UNII

BOK59Q8W6X

Created by admin on Sat Dec 16 08:09:07 GMT 2023 , Edited by admin on Sat Dec 16 08:09:07 GMT 2023

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PUBCHEM

87269521

Created by admin on Sat Dec 16 08:09:07 GMT 2023 , Edited by admin on Sat Dec 16 08:09:07 GMT 2023

PRIMARY

CAS

1292904-64-3

Created by admin on Sat Dec 16 08:09:07 GMT 2023 , Edited by admin on Sat Dec 16 08:09:07 GMT 2023

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