HIT ID: HIT214433716
Cas No: 145821-57-4
分子式: C20H28ClNO3S2
分子量: 430.02
常用名: Tiagabine hydrochloride hydrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrate hydrochloride
IUPAC: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrate hydrochloride
SMILES: O.Cl.Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
SMILES: O.Cl.Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
InChI key: KOZCGZMZXXVHCF-GGMCWBHBSA-N