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Chemical structure of Cefcanel daloxate HCl

GB62313

Cefcanel daloxate HCl

Also known as (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

Cefcanel daloxate, also known as KY-109, is a pro-drug to improve oral absorption of KY-087

ChemicalCAS92602-21-6MW698.18FormulaC27H28ClN5O9S3
CAS number
92602-21-6
Molecular weight
698.18
Formula
C27H28ClN5O9S3
Solubility
Soluble in DMSO
InChIKey
HFVATKYQUGKLGL-PCQLZLFJSA-N
Catalogue number
GB62313
Brand
GLPBIO
Computed properties PubChem CID 179696 · TPSA 268 Ų · H-bond donors 3 · H-bond acceptors 15
TPSA
268 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
13
Heavy atoms
45

SMILES CC1=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 descriptors from PubChem (CID 179696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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