U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of 4-DEACETYLVINCRISTINE

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

Approval Year

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 GMT 2023 , Edited by admin on Sat Dec 16 15:05:49 GMT 2023
PRIMARY
CAS
3704-01-6
Created by admin on Sat Dec 16 15:05:49 GMT 2023 , Edited by admin on Sat Dec 16 15:05:49 GMT 2023
PRIMARY
PUBCHEM
131878567
Created by admin on Sat Dec 16 15:05:49 GMT 2023 , Edited by admin on Sat Dec 16 15:05:49 GMT 2023
PRIMARY