Name: Avitriptan Fumarate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714914
Cas No:171171-42-9
常用名:Avitriptan Fumarate
别名:UNII-2G25KE3954, BMS-180048, BMS180048, BMS 180048
别名:UNII-2G25KE3954, BMS-180048, BMS180048, BMS 180048
IUPAC:(2E)-but-2-enedioic acid; 1-(3-{3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl}-1H-indol-5-yl)-N-methylmethanesulfonamide
IUPAC:(2E)-but-2-enedioic acid; 1-(3-{3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl}-1H-indol-5-yl)-N-methylmethanesulfonamide
InChI key:FMXXORRZIQGUIN-WLHGVMLRSA-N

分子式:C26H34N6O7S
分子量:574.65
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.5899932
SMILES:OC(=O)\C=C\C(O)=O.CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3ncncc3OC)c2c1
SMILES:OC(=O)\C=C\C(O)=O.CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3ncncc3OC)c2c1

Amitriptan fumarate is serotonin 5HT-1B/1D receptor agonist with anti-migraine activity.

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