beta-Yohimbin hydrochloride
HIT212715085
sdf文件结构编辑类似物检索
HIT ID: HIT212715085
Cas No: 75444-63-2
分子式: C21H27ClN2O3
分子量: 390.91
常用名: beta-Yohimbin hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 2.0986583
IUPAC: methyl (1S,15R,18R,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate hydrochloride
IUPAC: methyl (1S,15R,18R,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate hydrochloride
SMILES: Cl.COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
SMILES: Cl.COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
InChI key: PIPZGJSEDRMUAW-RGEGUIKKSA-N
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