N-Pivaloyl 7-aminodesacetoxycephalosporanic acid

HCID 14949331

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Basic information

CAS: 146794-70-9
Standard SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(C)(C)C)[C@H]2SC1
InChIKey: JLNXDMISSHNIAD-GMSGAONNSA-N
Molecular formula: C13H18N2O4S
Average molar mass: 298.36 g/mol
Monoisotopic mass: 298.09872823

Names & identifiers

Preferred name: N-Pivaloyl 7-aminodesacetoxycephalosporanic acid
IUPAC: (6R,7R)-7-(2,2-dimethylpropanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
English name: (6R-trans)-7-[(2,2-diMethyl-1-oxopropyl)aMino]-3-Methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-
Molecular formula: C13H18N2O4S
Molecular weight: 298.36

Names & synonyms

146794-70-97-ADCA PivalamideN-Pivaloyl 7-aminodesacetoxycephalosporanic acidMDO0VUD5WQ(6R,7R)-7-(2,2-dimethylpropanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-((2,2-Dimethylpropanoyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(2,2-DIMETHYLPROPANAMIDO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2,2-dimethyl-1-oxopropyl)amino)-3-methyl-8-oxo-, (6R,7R)-5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2,2-dimethyl-1-oxopropyl)amino)-3-methyl-8-oxo-, (6R-trans)-(6R,7R)-7-[(2,2-Dimethylpropanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidUNII-MDO0VUD5WQ(6R,7R)-7-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Show more names

Cefadroxil EP Impurity HCefalexin-EP-Imp-ECefradine Impurity GCefalexin impurity ECephalexin IMpurity ECefadroxil Impurity 4Cefadroxil Impurity 1Cefadroxil impurity Hcefalexin Impurity H

Cefadroxil impurity H [EP]Cefalexin EP Impurity E;<br>Cefadroxil EP Impurity H;<br>Cefradine EP Impurity GCefadroxil monohydrate impurity H [EP]Cefadroxil Impurity 9(6R,7R)-3-methyl-8-oxo-7-pivalamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCEFRADINE IMPURITY G [EP IMPURITY]CEFADROXIL IMPURITY H [EP IMPURITY](use C4X-12151)Cefadroxil EP Impurity H

Database identifiers

CAS: 146794-70-9
PubChem CID: 14949331
UNII: MDO0VUD5WQ
Nikkaji: J1.067.749A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 521

Physicochemical properties

Melting point: 171 °C · >171°C (dec.)
Boiling point: 617.1 · 617.1±55.0 °C(Predicted)
Density: 1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: DMSO (Slightly), Water (Slightly, Heated)
pka: 3.13 · 3.13±0.50(Predicted)
form: Solid
color: White
FDA UNII: 0 VUD5WQ · MDO0VUD5WQ

Chemistry & industry

Applications

Uses7-ADCA Pivalamide is an impurity of the semi-synthetic antibiotic Cephalexin (C256800) as well as its hydroxy analogue Cefadroxil (C235750).

Suppliers69 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]

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