Molecule ID: 5283101

IUPAC Name: (1R,3S,4R,5R)-4-[(Z)-7-(dimethylamino)hept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol

Description: The molecule is a member of the class of prostaglandins Falpha that is the dimethylamine derivative of prostaglandin F2alpha. It has a role as a metabolite. It is a prostaglandins Falpha and a tertiary amine. It derives from a prostaglandin F2alpha and a dimethylamine.

SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCN(C)C)[C@@H](O)C[C@H]1O

SELFIES: [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@@H1][Branch1][=N][C][/C][=C][\C][C][C][C][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][S][O]

InChI: InChI=1S/C22H41NO3/c1-4-5-9-12-18(24)14-15-20-19(21(25)17-22(20)26)13-10-7-6-8-11-16-23(2)3/h7,10,14-15,18-22,24-26H,4-6,8-9,11-13,16-17H2,1-3H3/b10-7-,15-14+/t18-,19+,20+,21-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 63.9 Ų
- LogP: 3.6