Molecule ID: 443037

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide

Description: The molecule is an organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding N-oxide. It has a role as a metabolite. It is an organochlorine compound, a member of phenothiazines and a tertiary amine oxide. It derives from a chlorpromazine.

SMILES: C[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc21

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][O-1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]

InChI: InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 46.6 Ų
- LogP: 4.6