Vincristine N-Oxide
Basic information
- CAS
947527-73-3- Standard SMILES
CC[C@]1(O)C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@+]([O-])(C2)C1- InChIKey
RMXAXRWGUNEVQR-PQWPLOBDSA-N- Molecular formula
- C46H56N4O11
- Average molar mass
- 841 g/mol
- Monoisotopic mass
- 840.39455862
Names & identifiers
- Preferred name
- Vincristine N-Oxide
- IUPAC
- methyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
- English name
- Vincristine N-Oxide
- Molecular formula
- C46H56N4O11
- Molecular weight
- 840.96
Names & synonyms
Vincristine N-Oxide947527-73-3methyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate22-Oxo-vincaleukoblastine 6'-OxideVincristine Impurity KDTXSID80858566C46H56N4O11IO28695methyl (1R,9R,10S,11S,12R,19R)-11-acetoxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylateMethyl 4alpha-(acetyloxy)-15-[(3S,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-3-oxo-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methano-3lambda~5~-azacycloundecino[5,4-b]indol-9-yl]-1-formyl-3beta-hydroxy-16-methoxy-2beta,5alpha,12beta,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,800
Physicochemical properties
- Melting point
- 200 °C · >200°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 11.1 · 11.10±0.60(Predicted)
- color
- Off-White to Pale Yellow
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPotential treatment for hyperproliferative disorders
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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