Catharanthine sulfate
HIT212664425
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HIT ID: HIT212664425
Cas No: 70674-90-7
分子式: C21H26N2O6S
分子量: 434.51
常用名: Catharanthine sulfate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.191243
IUPAC: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate; sulfuric acid
IUPAC: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate; sulfuric acid
SMILES: OS(O)(=O)=O.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:6,THB:12:11:7.8:24.23,15:23:7.8:11.10,26:23:7.8:11.10|
SMILES: OS(O)(=O)=O.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |t:6,THB:12:11:7.8:24.23,15:23:7.8:11.10,26:23:7.8:11.10|
InChI key: ULBHCCBAHJWZET-GYMDHWDQSA-N
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