Products 95789-30-3

CAS 95789-30-3 appears in our catalog under these names: Cefotiam Hexetil 2HCl, Cefotiam Hexetil Hydrochloride (mixture of Diastereomers), Cefotiam Hexetil Hydrochloride/ 100%, Cefotiam hexetil hydrochloride, Cefotiam hexetil dihydrochloride, ≥98%, ≥98%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Chemat. Available pack sizes: on request, 100mg, 10mg, 500mg, 5mg, 25mg, 50mg, 1mg.

Structural formula: {0} (CAS {1})

Cefotiam hexetil dihydrochloride is the dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam. It has a role as an antibacterial drug and a prodrug. It contains a cefotiam hexetil ester. It is functionally related to a cefotiam.

Source: ChEBI

Identity
Molecular formulaC27H39Cl2N9O7S3
Molecular weight768.8 g/mol
IUPAC name1-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
InChIKeyFFSANQNELHESQJ-LWBICVDYSA-N
SMILESCC(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 by PubChem (NCBI)