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  3. HIT214318063
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HIT214318063
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HIT214318063
  • HIT ID:HIT214318063
  • Cas No:113102-19-5
  • 常用名:Rifamexil
  • IUPAC:28-(diethylamino)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl acetate
    IUPAC:28-(diethylamino)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl acetate
  • InChI key:QTLQVMGAXZJADU-UHFFFAOYSA-N
  • 分子式:C42H55N3O11S
  • 分子量:809.97
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCN(CC)c1nc2c(s1)c1NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC3(C)Oc4c(C3=O)c2c(c(O)c4C)c1O |w:39.39,16.17,18.19|
    SMILES:CCN(CC)c1nc2c(s1)c1NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC3(C)Oc4c(C3=O)c2c(c(O)c4C)c1O |w:39.39,16.17,18.19|
  • Rifamexil is a rifamycin (antibiotic produced naturally by the bacterium Amycolatopsis rifamycinica) derivative.
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