2-Chloro-9-(3-(dimethylamino)propyl)acridan phosphate
Basic information
- CAS
22199-46-8- Standard SMILES
C[NH+](C)CCCC1c2ccccc2Nc2ccc(Cl)cc21.O=P([O-])(O)O- InChIKey
SKKDWRIEPIZVOR-UHFFFAOYSA-N- Molecular formula
- C18H24ClN2O4P
- Average molar mass
- 398.8 g/mol
- Monoisotopic mass
- 398.1162219
Overview
See also: Clomacran Phosphate (preferred).
Names & identifiers
- Preferred name
- 2-Chloro-9-(3-(dimethylamino)propyl)acridan phosphate
- IUPAC
- 3-(2-chloro-9,10-dihydroacridin-9-yl)propyl-dimethylazanium;dihydrogen phosphate
Names & synonyms
3-(2-chloro-9,10-dihydroacridin-9-yl)propyl-dimethylazanium;dihydrogen phosphate2-Chloro-9-(3-(dimethylamino)propyl)acridan phosphate (1:1)UNII-7A1GN6M31HSKF 143362-Chloro-9-(3-(dimethylamino)propyl)acridan phosphate2-Chloro-9-(3-(dimethylamino)propyl)acridane phosphateACRIDAN, 2-CHLORO-9-(3-(DIMETHYLAMINO)PROPYL)-, PHOSPHATE (1:1)NS00122495
Database identifiers
- CAS
22199-46-8- PubChem CID
- 31023
Properties
Computed structural properties
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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