Molecule ID: 547559

IUPAC Name: N,N-dimethyl-3-(5-oxophenothiazin-10-yl)propan-1-amine

Description: The molecule is a member of the class of phenothiazines that is promazine carrying an oxo group at position 5. It is a metabolite of the anti-psychotic medication, chlorpromazine. It has a role as a drug metabolite. It is a member of phenothiazines, a sulfoxide and a tertiary amino compound. It derives from a promazine.

SMILES: CN(C)CCCN1c2ccccc2S(=O)c2ccccc21

SELFIES: [C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]

InChI: InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 53.5 Ų
- LogP: 3.3