Cefcapene pivoxil hydrochloride hydrate

For Research Use Only.
Category
Impurities
Cat.No.
NP3356
CAS
147816-24-8
Product Name
Cefcapene pivoxil hydrochloride hydrate
Structure

Product Details

Description
Cefcapene pivoxil hydrochloride hydrate is an ester salt prodrug form of Cefcapene, which is a third generation cephalosporin antibiotic used for the treatment of bacterial infections.
Synonyms
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, hydrochloride, hydrate (1:1:1), (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, monohydrate, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, monohydrate, [6R-[6α,7β(Z)]]-; Cefcapene pivoxil monohydrochloride monohydrate
IUPAC Name
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride
Molecular Weight
622.11
Molecular Formula
C23H29N5O8S2.HCl.H2O
Canonical SMILES
CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl
InChI
InChI=1S/C23H29N5O8S2.ClH.H2O/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H;1H2/b12-6-;;/t14-,18-;;/m1../s1
InChIKey
LUXIJPQYUCFVAL-XRLCNELCSA-N
Melting Point
158-164°C
Purity
98%
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly), Water (Sparingly)
Appearance
Off-white Solid
Storage
Store at 2-8°C under inert atmosphere
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