Rifaximin-d6
HIT218833605
sdf文件结构编辑类似物检索
HIT ID: HIT218833605
Cas No:
分子式: C43H51N3O11
分子量: 791.928
常用名: Rifaximin-d6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,36-tetrahydroxy-11-methoxy-30-(2H3)methyl-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo(28,29,31-2H3)-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1^{4,7}.0^{5,35}.0^{26,34}.0^{27,32}]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate
IUPAC: (7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,36-tetrahydroxy-11-methoxy-30-(2H3)methyl-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo(28,29,31-2H3)-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1^{4,7}.0^{5,35}.0^{26,34}.0^{27,32}]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate
SMILES: [2H]c1c([2H])n2c(nc3c2c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C4=O)c3c(c(O)c5C)c2O)c([2H])c1C([2H])([2H])[2H]
SMILES: [2H]c1c([2H])n2c(nc3c2c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C4=O)c3c(c(O)c5C)c2O)c([2H])c1C([2H])([2H])[2H]
InChI key: NZCRJKRKKOLAOJ-PLMIFOOKSA-N
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