Basic information
- CAS
113803-47-7- Standard SMILES
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3[C@]45CCN4CC=C[C@](CC)(C45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)C1.CN(CCCl)CCCl.CNNCc1ccc(C(=O)NC(C)C)cc1.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.Cl- InChIKey
SVYBPMMLNVMOPS-WBQZPATFSA-N- Molecular formula
- C84H113Cl3N8O16
- Average molar mass
- 1,597.2 g/mol
- Monoisotopic mass
- 1,594.734013
Names & identifiers
- Preferred name
- Nitrogen mustard regimen with prednisone, procarbazine and vincristine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-methylethanamine;(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione;methyl (1R,10S,11R,12R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-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]-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;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
Names & synonyms
Vincristine-prednisone-nitrogen mustard-procarbazine mixtNitrogen mustard / prednisone / procarbazine / vincristineNitrogen mustard regimen with prednisone, procarbazine and vincristine22-Oxovincaleukoblastine mixt. with 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride, 17,21-dihydroxypregna-1,4-diene-3,11,20-trione and N-(1-methylethyl)-4-((2-methylhydrazino)methyl)benzamideVincaleukoblastine, 22-oxo-, mixt. with 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride, 17,21-dihydroxypregna-1,4-diene-3,11,20-trione and N-(1-methylethyl)-4-((2-methylhydrazino)methyl)benzamideRefChem:365720Vincristine-prednisone-nitrogen mustard-procarbazine mixt.113803-47-7SCHEMBL29353788Vincristine - prednisone - nitrogen mustard - procarbazine mixt.
Database identifiers
- CAS
113803-47-7- PubChem CID
- 62312
Properties
Computed structural properties
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 21
- Heavy atoms
- 111
- Formal charge
- 0
- Complexity
- 2,770
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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