Basic information
- CAS
18556-44-0- Standard SMILES
CC[C@@]1(O)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.O=S(=O)(O)O- InChIKey
KDQAABAKXDWYSZ-SDCRJXSCSA-N- Molecular formula
- C46H60N4O13S
- Average molar mass
- 909.1 g/mol
- Monoisotopic mass
- 908.38775915
Names & identifiers
- Preferred name
- Vinrosidine Sulfate
- IUPAC
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17R)-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-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;sulfuric acid
Names & synonyms
VINROSIDINE SULFATELeurosidine sulfateVinrosidine sulfate [USAN]18556-44-0Leurosidine, sulfate (salt)UNII-4944BQ2GBF(4'-alpha)Vincaleukoblastine sulfate4944BQ2GBFVincaleukoblastine, (4'-alpha)-, sulfateVinrosidine sulphateVincaleucoblastine, 4'-deoxy-3'-hydroxy-, sulfate (salt)(+)-Leurosidine, sulfate
Show more names
(+)-LEUROSIDINE, SULPHATEVinrosidine sulfate (USAN)VINCALEUKOBLASTINE, (4'.ALPHA.)-,SULFATEVINCALEUKOBLASTINE, (4'.ALPHA.)-,SULPHATERefChem:194301Vincaleukoblastine, (4'alpha)-,sulfateVINCALEUKOBLASTINE, (4'ALPHA)-,SULPHATEVincaleukoblastine, (4'-alpha)-, sulfate (9CI)
Database identifiers
- CAS
18556-44-0- PubChem CID
- 68542
- ChEMBL
CHEMBL3989538- UNII
- 4944BQ2GBF
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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