3',4'-Anhydrovinblastine

HCID 443324

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Basic information

CAS
38390-45-3
Standard SMILES
CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
InChIKey
FFRFGVHNKJYNOV-DOVUUNBWSA-N
Molecular formula
C46H56N4O8
Average molar mass
793 g/mol

Overview

3',4'-Anhydrovinblastine is a methyl ester and a vinca alkaloid.

Names & identifiers

Preferred name
3',4'-Anhydrovinblastine
IUPAC
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Names & synonyms

3',4'-AnhydrovinblastineRefChem:90212AnhydrovinblastineAVLBmethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylateCHEMBL509507F 81097;F-81097;F810973',4'-anhydro-vinblastineCHEBI:1322SCHEMBL1650232SCHEMBL29375442FFRFGVHNKJYNOV-DOVUUNBWSA-N
Show more names
AKOS015895947FS-6935Q27105444

Database identifiers

CAS
38390-45-3
PubChem CID
443324
ChEMBL
CHEMBL509507
ChEBI
CHEBI:1322
Nikkaji
J397.714E

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
58

Related reactions

5 records

Compound notes

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