Basic information
- CAS
66759-69-1- Standard SMILES
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NCCSSCCNC(=O)C5(O)C(O)C6(CC)C=CCN7CCC8(c9cc(C%10(C(=O)OC)CC%11CN(CCc%12c%10[nH]c%10ccccc%12%10)CC(O)(CC)C%11)c(OC)cc9N(C)C58)C76)C(O)C5(CC)C=CCN6CCC43C65)C2)C1- InChIKey
VSRQTVODHBWBAZ-UHFFFAOYSA-N- Molecular formula
- C90H116N10O14S2
- Average molar mass
- 1,626.1 g/mol
Overview
synthetic vinca alkaloid derivative of vinblastine
Names & identifiers
- Preferred name
- bis(N-ethylidene vindesine)disulfide
- IUPAC
- methyl 17-ethyl-13-[12-ethyl-10-[2-[2-[[12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]ethyldisulfanyl]ethylcarbamoyl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
- English name
- bis(N-ethylidene vindesine)disulfide
- Molecular formula
- C90H116N10O14S2
- Molecular weight
- 1626.07
Names & synonyms
Bis-vdsBis(N-ethylidene vindesine)disulfide66759-69-1RefChem:120251Vincaleukoblastine, 3,3''-(dithiobis(2,1-ethanediyliminocarbonyl))bis(O4-deacetyl-3-de(methoxycarbonyl))-Bis(N-ethylidene vindesine)disulfide, disulfateVincaleukoblastine, 3,3''-(dithiobis(2,1-ethanediyliminocarbonyl))bis(O4-deacetyl-3-de(methoxycarbonyl)-Vincaleukoblastine, 3,3''-[dithiobis(2,1-ethanediyliminocarbonyl)]bis[O4-deacetyl-3-de(methoxycarbonyl)- (9CI)
Database identifiers
- CAS
66759-69-1- PubChem CID
- 430502
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 21
- Heavy atoms
- 116
- Formal charge
- 0
- Complexity
- 3,510
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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