4-DEACETYLVINCRISTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H54N4O9
Molecular Weight	782.921
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@H]7C[N@](C[C@](O)(CC)C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C=O)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)OC

InChI

InChIKey=YIQATJBOCJPFCF-XQLDGQACSA-N

InChI=1S/C44H54N4O9/c1-6-40(53)21-26-22-43(38(51)56-4,34-28(13-17-46(23-26)24-40)27-11-8-9-12-31(27)45-34)30-19-29-32(20-33(30)55-3)48(25-49)36-42(29)15-18-47-16-10-14-41(7-2,35(42)47)37(50)44(36,54)39(52)57-5/h8-12,14,19-20,25-26,35-37,45,50,53-54H,6-7,13,15-18,21-24H2,1-5H3/t26-,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H54N4O9
Molecular Weight	782.921
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:05:48 UTC 2023` Edited by `admin` on `Sat Dec 16 15:05:48 UTC 2023`
Record UNII	YVA84573TN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DEACETYLVINCRISTINE

Common Name

English

VINCRISTINE SULFATE IMPURITY D [EP IMPURITY]

Common Name

English

DEACETYLVINCRISTINE

Common Name

English

O4-DEACETYL-22-OXOVINCALEUKOBLASTINE

Common Name

English

METHYL (3AR,4R,5S,5AR,10BR,13AR)-3A-ETHYL-9-((5S,7R,9S)-5-ETHYL-5-HYDROXY-9-(METHOXYCARBONYL)-1,4,5,6,7,8,9,10-OCTAHYDRO-2H-3,7-METHANOAZACYCLOUNDECINO(5,4-B)INDOL-9-YL)-6-FORMYL-4,5-DIHYDROXY-8-METHOXY-3A,4,5,5A,6,11,12,13A-OCTAHYDRO-1H-INDOLIZINO(8,1-C

Systematic Name

English

4-DESACETYLVINCRISTINE

Common Name

English

VINCALEUKOBLASTINE, O4-DEACETYL-22-OXO-

Common Name

English

Code System Code Type Description

FDA UNII

YVA84573TN

Created by admin on Sat Dec 16 15:05:49 UTC 2023 , Edited by admin on Sat Dec 16 15:05:49 UTC 2023

PRIMARY

CAS

3704-01-6

Created by admin on Sat Dec 16 15:05:49 UTC 2023 , Edited by admin on Sat Dec 16 15:05:49 UTC 2023

PRIMARY

PUBCHEM

131878567

Created by admin on Sat Dec 16 15:05:49 UTC 2023 , Edited by admin on Sat Dec 16 15:05:49 UTC 2023

PRIMARY

Related Record Type Details


					T5IRO3534A

VINCRISTINE SULFATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: