Name: BODIPY FL Verapamil hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847594
Cas No:216571-88-9
常用名:BODIPY FL Verapamil hydrochloride
常用名:BODIPY FL Verapamil hydrochloride
IUPAC:4-(2-{[2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentyl]carbamoyl}ethyl)-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide hydrochloride
IUPAC:4-(2-{[2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentyl]carbamoyl}ethyl)-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide hydrochloride
InChI key:CVGLCXJYDRQISG-UHFFFAOYSA-N

分子式:C41H56BClF2N4O5
分子量:769.18
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.COc1ccc(CCN(C)CCCC(CNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
SMILES:Cl.COc1ccc(CCN(C)CCCC(CNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

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