Products 92602-21-6

CAS 92602-21-6 appears in our catalog under these names: Cefcanel Daloxate Hydrochloride, Cefcanel daloxate HCl. Offered by: TRC, GLPBio. Available pack sizes: 75mg, 1mg, 10mg, 25mg, 5mg, 50mg.

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride (CAS 92602-21-6) is a chemical compound with the molecular formula C27H28ClN5O9S3 and a molecular weight of 698.2 g/mol. IUPAC name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride. InChIKey: HFVATKYQUGKLGL-PCQLZLFJSA-N.

Identity
Molecular formulaC27H28ClN5O9S3
Molecular weight698.2 g/mol
IUPAC name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
InChIKeyHFVATKYQUGKLGL-PCQLZLFJSA-N
SMILESCC1=C(OC(=O)O1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](C4=CC=CC=C4)OC(=O)[C@H](C)N)CSC5=NN=C(S5)C.Cl

Computed by PubChem (NCBI)