Basic information
- CAS
76109-92-7- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)[C@@H](C)[C@H](OP(=O)([O-])[O-])c1ccccc1)CC2.[Na+].[Na+]- InChIKey
NHVUDCZRHKSAQB-DLTADJTPSA-L- Molecular formula
- C30H34NNa2O9P
- Average molar mass
- 629.5 g/mol
- Monoisotopic mass
- 629.17665722
Overview
RN given refers to 2-Na salt(7S-(7R*(1R*,2S*)))-isomer
Names & identifiers
- Preferred name
- Colchiceineamide-L-ephedrine phosphate
- IUPAC
- disodium;[(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenylpropyl] phosphate
Names & synonyms
Colchiceineamide-L-ephedrine phosphate76109-92-7Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methyl(1-methyl-2-phenyl-2-(phosphonooxy)ethyl)amino)-, disodium salt, (7S-(7R*(1R*,2S*)))-RefChem:127435DTXSID20997468disodium;[(1R,2S)-2-[methyl-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]-1-phenylpropyl] phosphateDisodium (1R,2S)-2-{methyl[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}-1-phenylpropyl phosphateDisodium 2-[methyl(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)amino]-1-phenylpropyl phosphate
Database identifiers
- CAS
76109-92-7- PubChem CID
- 192058
- DTXSID
DTXSID20997468
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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