4'-Deoxyvincaleukoblastine
Basic information
- CAS
28808-73-3- Standard SMILES
CCC1CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1- InChIKey
AGKYIOIIEPFTEV-UHFFFAOYSA-N- Molecular formula
- C46H58N4O8
- Average molar mass
- 795 g/mol
- Monoisotopic mass
- 794.42546482
Overview
See also: 4'-Deoxyvinblastine (annotation moved to).
Names & identifiers
- Preferred name
- 4'-Deoxyvincaleukoblastine
- IUPAC
- methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-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
4'-DeoxyvincaleukoblastineVincaleukoblastine, 4'-deoxy-57194-39-5(18'.alpha.)-4'-Deoxyvincaleukoblastine28808-73-3NSC169462NSC169464NSC250834Vincaleukoblastine, (18'.alpha.)-NSC-169462NSC-169464NSC-250834
Show more names
1H-Indolizino[8, vincaleukoblastine deriv.2H-3,4-b]indole, vincaleukoblastine deriv.
Database identifiers
- CAS
28808-73-3、57194-39-5- PubChem CID
- 297940
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,650
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Related reactions
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Compound notes
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