Basic information
- CAS
15228-71-4- 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- InChIKey
JXLYSJRDGCGARV-KSNABSRWSA-N- Molecular formula
- C46H58N4O9
- Average molar mass
- 811 g/mol
- Monoisotopic mass
- 810.42037944
Names & identifiers
- Preferred name
- Vinrosidine
- 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
- English name
- Vinrosidine
- Molecular formula
- C46H58N4O9
- Molecular weight
- 810.98
Names & synonyms
Vinrosidine15228-71-4VinrosidinaVinrosidine [INN]VinrosidinumLeurosidine diacetateVinrosidine diacetate3D8VFG675W(+)-LEUROSIDINEVinrosidinum [INN-Latin]Vinrosidina [INN-Spanish]UNII-3D8VFG675W
Show more names
Leurosidine(4'R)-VincaleukoblastineVincaleukoblastine, (4'α)-(2'S,4'R)-Vincaleukoblastine
(4'-alpha)-VincaleukoblastineVincaleukoblastine, (4'-alpha)-Vincaleukoblastine, (4'.alpha.)-1H-INDOLIZINO(8,1-CD)CARBAZOLEVinrosidinum (INN-Latin)Vinrosidina (INN-Spanish)RefChem:194300Vincaleukoblastine, (4'-alpha)-(9CI)
Database identifiers
- CAS
15228-71-4- PubChem CID
- 68543
- DTXSID
DTXSID101018043- ChEMBL
CHEMBL3990345- UNII
- 3D8VFG675W
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,700
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 208 · 208-211 °c (dec.).
- Density
- 1.374 · 1.374±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.364 · 11.364±0.60(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 D8VFG675W · 3D8VFG675W
Chemistry & industry
Applications
DescriptionAlso obtained from Vinca rosea L., this alkaloid is dextrorotatory with [α]25D + 55.8° (CHCI3). There are two absorption maxima in the ultraviolet spectrum at 214 and 265 mfJ.. A crystalline O,O,N-triacetyl derivative has been prepared with m.p. 154-9°C (dec.); [α]25D + 12.6° (CHCl3). Two of the nitrogen atoms are tertiary, the others being present as an imino and a methylimino group respec tively. The structure has been established from chemical
UsesAntineoplastic.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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