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Chemical structure of Cefotiam hexetil hydrochloride

GC20109

Cefotiam hexetil hydrochloride

Also known as 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride

Cefotiam hexetil hydrochloride (CTM-HE) is an oral third-generation cephalosporin, which is a prodrug of cefotiam, but has no anti-bacterial property· Cefotiam is an antibiotic

ChemicalCAS95789-30-3MW768.76FormulaC27H39Cl2N9O7S3
CAS number
95789-30-3
Molecular weight
768.76
Formula
C27H39Cl2N9O7S3
Solubility
DMSO ： 250 mg/mL (325·20 mM; Need ultrasonic)
InChIKey
FFSANQNELHESQJ-LWBICVDYSA-N
Catalogue number
GC20109
Brand
GLPBIO
Computed properties PubChem CID 175647 · TPSA 276 Ų · H-bond donors 4 · H-bond acceptors 16
TPSA
276 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
16
Heavy atoms
48

SMILES CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5.Cl.Cl

Computed descriptors from PubChem (CID 175647), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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