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Details

Stereochemistry EPIMERIC
Molecular Formula C45H54N4O9
Molecular Weight 794.9334
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6RS)-4-DEOXY-3,4-DIDEHYDRO-8-NORVINCALEUKOBLASTINE 6-OXIDE

SMILES

CCC1=C[C@@]2([H])C[C@](c3cc4c(cc3OC)N(C)[C@]5([H])[C@@]64CCN7CC=C[C@](CC)([C@@]67[H])[C@]([H])([C@@]5(C(=O)OC)O)OC(=O)C)(c8c(CN(=O)(C1)C2)c9ccccc9[nH]8)C(=O)OC

InChI

InChIKey=LPTZKBCHESZBOM-LCJOUJNQSA-N
InChI=1S/C45H54N4O9/c1-8-27-19-28-22-44(40(51)56-6,36-30(25-49(54,23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)55-5)47(4)38-43(31)16-18-48-17-12-15-42(9-2,37(43)48)39(58-26(3)50)45(38,53)41(52)57-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-,49?/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H54N4O9
Molecular Weight 794.9334
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:45:51 UTC 2021
Edited
by admin
on Sat Jun 26 08:45:51 UTC 2021
Record UNII
7E57MEP1M9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6RS)-4-DEOXY-3,4-DIDEHYDRO-8-NORVINCALEUKOBLASTINE 6-OXIDE
Systematic Name English
ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 4-(ACETYLOXY)-6,7-DIDEHYDRO-15-((6R,8S)-4-ETHYL-1,3,6,7,8,9-HEXAHYDRO-8-(METHOXYCARBONYL)-2-OXIDO-2,6-METHANO-2H-AZECINO(4,3-B)INDOL-8-YL)-3-HYDROXY-16-METHOXY-1-METHYL-, METHYL ESTER, (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.
Systematic Name English
VINORELBINE TARTRATE IMPURITY D [EP]
Common Name English
VINORELBINE METABOLITE M1
Common Name English
METHYL (2.BETA.,3.BETA.,4.BETA.,5.ALPHA.,12R,19.ALPHA.)-4-(ACETYLOXY)-6,7-DIDEHYDRO-15-((6R,8S)-4-ETHYL-1,3,6,7,8,9-HEXAHYDRO-8-(METHOXYCARBONYL)-2-OXIDO-2,6-METHANO-2H-AZECINO(4,3-B)INDOL-8-YL)-3-HYDROXY-16-METHOXY-1-METHYLASPIDOSPERMIDINE-3-CARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
1032390-76-3
Created by admin on Sat Jun 26 08:45:51 UTC 2021 , Edited by admin on Sat Jun 26 08:45:51 UTC 2021
PRIMARY
FDA UNII
7E57MEP1M9
Created by admin on Sat Jun 26 08:45:51 UTC 2021 , Edited by admin on Sat Jun 26 08:45:51 UTC 2021
PRIMARY
PUBCHEM
154572866
Created by admin on Sat Jun 26 08:45:51 UTC 2021 , Edited by admin on Sat Jun 26 08:45:51 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP