Name: Cefotiam Hexetil Hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212658494
Cas No:95789-30-3
常用名:Cefotiam Hexetil Hydrochloride
别名:盐酸头孢替安酯, 头孢替安海替酯盐酸盐
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
InChI key:FFSANQNELHESQJ-LWBICVDYSA-N

分子式:C27H39Cl2N9O7S3
分子量:768.75
氢键供体数 (HBD):2
氢键受体数 (HBA):11
LogP:2.549302
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|

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