Name: Berbamine dihydrochloride
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212650668
Cas No:6078-17-7
常用名:Berbamine dihydrochloride
别名:盐酸小檗胺, Berbamine 2HCl
IUPAC:(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol dihydrochloride
IUPAC:(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol dihydrochloride
InChI key:USRXDYNDPPUBSG-KKXMJGKMSA-N

分子式:C37H42Cl2N2O6
分子量:681.65
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:8.39
SMILES:Cl.Cl.COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
SMILES:Cl.Cl.COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4

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