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

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H52N4O7
Molecular Weight 736.8956
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-O-DEACETYLVINORELBINE

SMILES

[H][C@@]12N3CC[C@@]14C5=CC(=C(OC)C=C5N(C)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)OC)[C@]6(C[C@H]7CN(CC(CC)=C7)CC8=C6NC9=C8C=CC=C9)C(=O)OC

InChI

InChIKey=OBAOAFYUDIHEFP-KMYMPCDISA-N
InChI=1S/C43H52N4O7/c1-7-25-18-26-21-42(38(49)53-5,34-28(24-46(22-25)23-26)27-12-9-10-13-31(27)44-34)30-19-29-32(20-33(30)52-4)45(3)36-41(29)15-17-47-16-11-14-40(8-2,35(41)47)37(48)43(36,51)39(50)54-6/h9-14,18-20,26,35-37,44,48,51H,7-8,15-17,21-24H2,1-6H3/t26-,35-,36+,37+,40+,41+,42-,43-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-O-DEACETYLVINORELBINE
Common Name English
DEACETYL VINORELBINE
Common Name English
VINORELBINE TARTRATE IMPURITY B [EP IMPURITY]
Common Name English
ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 6,7-DIDEHYDRO-15-((2R,6R,8S)-4-ETHYL-1,3,6,7,8,9-HEXAHYDRO-8-(METHOXYCARBONYL)-2,6-METHANO-2H-AZECINO(4,3-B)INDOL-8-YL)-3,4-DIHYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA.)-
Systematic Name English
VINORELBINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
O4-DEACETYL-4-DEOXY-3,4-DIDEHYDRO-8-NORVINCALEUKOBLASTINE
Systematic Name English
O-DEACETYLNAVELBINE
Common Name English
Code System Code Type Description
PUBCHEM
21783126
Created by admin on Sat Dec 16 15:15:14 GMT 2023 , Edited by admin on Sat Dec 16 15:15:14 GMT 2023
PRIMARY
CAS
126347-74-8
Created by admin on Sat Dec 16 15:15:14 GMT 2023 , Edited by admin on Sat Dec 16 15:15:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID10925513
Created by admin on Sat Dec 16 15:15:14 GMT 2023 , Edited by admin on Sat Dec 16 15:15:14 GMT 2023
PRIMARY
FDA UNII
XKD4U87SZY
Created by admin on Sat Dec 16 15:15:14 GMT 2023 , Edited by admin on Sat Dec 16 15:15:14 GMT 2023
PRIMARY