8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol

HCID 467415

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Basic information

CAS: 69382-95-2
Standard SMILES: CN(C)CCCN1c2cc(O)c(O)cc2Sc2cc(O)c(Cl)cc21
InChIKey: NFINMAJWHYKFBM-UHFFFAOYSA-N
Molecular formula: C17H19ClN2O3S
Average molar mass: 366.9 g/mol
Monoisotopic mass: 366.0804913

Names & identifiers

Preferred name: 8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol
IUPAC: 8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol

Names & synonyms

8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3,7-triol69382-95-23,7,8-trihydroxy-CPZ3,7,8-trihydroxy-chlorpromazineDTXSID003328188-CHLORO-10-[3-(DIMETHYLAMINO)PROPYL]-10H-PHENOTHIAZINE-2,3,7-TRIOL

Database identifiers

CAS: 69382-95-2
PubChem CID: 467415
DTXSID: DTXSID00332818
Nikkaji: J445.206B

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 92.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 431

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