Name: Ipsapirone hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212712883
Cas No:92589-98-5
常用名:Ipsapirone hydrochloride
别名:Ipsapirone HCl, BAY q-7821, BAY q7821, BAY q 7821
别名:Ipsapirone HCl, BAY q-7821, BAY q7821, BAY q 7821
IUPAC:2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione hydrochloride
IUPAC:2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione hydrochloride
InChI key:USDUGJXCPKBJTN-UHFFFAOYSA-N

分子式:C19H24ClN5O3S
分子量:437.94
氢键供体数 (HBD):0
氢键受体数 (HBA):7
LogP:1.761972
SMILES:Cl.O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
SMILES:Cl.O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12

Ipsapirone, a pyrimidinylpiperazine ligand, is potent and specific for 5-HT1A receptors and has potential therapeutic use in affective disorders.

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