Phenatine diphosphate
Basic information
- CAS
2964-23-0- Standard SMILES
CC(Cc1ccccc1)NC(=O)c1cccnc1.O=P(O)(O)O.O=P(O)(O)O- InChIKey
ZDZWSXDFNBHJFZ-UHFFFAOYSA-N- Molecular formula
- C15H22N2O9P2
- Average molar mass
- 436.29 g/mol
- Monoisotopic mass
- 436.08005428
Names & identifiers
- Preferred name
- Phenatine diphosphate
- IUPAC
- N-(1-phenylpropan-2-yl)pyridine-3-carboxamide;phosphoric acid
- English name
- Phenatine
- Molecular formula
- C15H22N2O9P2
- Molecular weight
- 436.290702
Names & synonyms
Phenatine diphosphate2964-23-07CHW6JI29ERefChem:1094678PhenatinUNII-7CHW6JI29ENicotinamide, N-(alpha-methylphenethyl)-, phosphate (1:2)N-(alpha-Methylphenethyl)nicotinamide phosphate (1:2)PHENATINE PHOSPHATEPHENATINE PHOSPHATE [MI]SCHEMBL30887090DTXSID30952109
Show more names
Q272680743-Pyridinecarboxamide, N-(1-methyl-2-phenylethyl)-, phosphate (1:2)N-(1-Phenylpropan-2-yl)pyridine-3-carboximidic acid--phosphoric acid (1/2)
Database identifiers
- CAS
2964-23-0- PubChem CID
- 200947
- DTXSID
DTXSID30952109- UNII
- 7CHW6JI29E
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- FDA UNII
- 7 CHW6JI29E · 7CHW6JI29E
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Related reactions
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Compound notes
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