Bromotetrandrine
HIT212692138
sdf文件结构编辑类似物检索
HIT ID: HIT212692138
Cas No: 62067-29-2
分子式: C38H41BrN2O6
分子量: 701.658
常用名: Bromotetrandrine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 7.2470155
IUPAC: (1S,14S)-19-bromo-9,20,21,25-tetramethoxy-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(33),19,21,24(32),25,27(31),35-dodecaene
IUPAC: (1S,14S)-19-bromo-9,20,21,25-tetramethoxy-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(33),19,21,24(32),25,27(31),35-dodecaene
SMILES: [H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(Br)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3
SMILES: [H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(Br)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3
InChI key: ANJMFZGRGHQXMA-VMPREFPWSA-N
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