Cefotiam Hexetil Hydrochloride
HIT212658494
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HIT ID: HIT212658494
Cas No: 95789-30-3
分子式: C27H39Cl2N9O7S3
分子量: 768.75
常用名: Cefotiam Hexetil Hydrochloride
氢键受体数 (HBA): 11
氢键供体数 (HBD): 2
LogP: 2.549302
IUPAC: 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)acetamido]-3-[({1-[2-(dimethylamino)ethyl]-1H-1,2,3,4-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride
IUPAC: 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)acetamido]-3-[({1-[2-(dimethylamino)ethyl]-1H-1,2,3,4-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride
SMILES: Cl.Cl.CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12 |c:16|
SMILES: Cl.Cl.CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12 |c:16|
InChI key: FFSANQNELHESQJ-LWBICVDYSA-N
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