N-beta-Hydroxyethylvindesine sulfate
Basic information
- CAS
64234-48-6- Standard SMILES
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NCCO)C(O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O- InChIKey
UKYLHZRUKZEFQV-UHFFFAOYSA-N- Molecular formula
- C45H61N5O12S
- Average molar mass
- 896.1 g/mol
- Monoisotopic mass
- 895.40374357
Names & identifiers
- Preferred name
- N-beta-Hydroxyethylvindesine sulfate
- IUPAC
- methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-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;sulfuric acid
Names & synonyms
N-beta-hydroxyethylvindesine Sulfate64234-48-6RefChem:1091628N-beta-Hydroxyethyl-vds, sulfate saltN-beta-Hydroxyethyl-vindesine, sulfate saltN-2-Hydroxyethyldesacetylvinblastine amide sulfateVincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(2-hydroxyethylamino)carbonyl-, sulfateNSC245468NSC-245468
Database identifiers
- CAS
64234-48-6- PubChem CID
- 429018
Properties
Computed structural properties
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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