carbenicillin

Description

carbenicillin · CAS 4697-36-3 · C17H18N2O6S. UNII G42ZU72N5G. Solubility: 451; Solubility: 3.90e-01 g/L; LogP: 1.13.

Identification

CAS Registry Number	4697-36-3
PubChem CID	20824
Molecular formula	C17H18N2O6S
IUPAC name	(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
UNII (FDA)	G42ZU72N5G

Computed Descriptors

Molecular Weight	378.4
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	378.08855747
Monoisotopic Mass	378.08855747
Topological Polar Surface Area	149
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Solubility	451
Solubility	3.90e-01 g/L
LogP	1.13
LogP	logP = 1.13
LogP	1.8

Physical description & handling notes

• Solid
• WHITE TO OFF-WHITE, CRYSTALLINE POWDER; BITTER TASTE; HYGROSCOPIC; ODORLESS; PKA1: 2.76; PKA2: 3.5; SPECIFIC OPTICAL ROTATION: +175 TO +185 DEG; 1 G SOL IN 1.2 ML WATER, 25 ML ALCOHOL; SOL IN METHANOL, DIL ALKALI, DIL ACID; INSOL IN ACETONE, CHLOROFORM, ETHER /DISODIUM/
• UNSTABLE IN ACID /DISODIUM/
• PH: (1% SOLN, WT/VOL) BETWEEN 6.8 & 7.5
• BRL-2064, CARBENICILLIN DISODIUM, CP-15-639-2, ANABACTYL, CARBAPEN, CARBECIN, GEOPEN, HYOPER, MICROCILLIN, PYOCIANIL, PYOPEN /DISODIUM/

GHS Hazard Classification

Reported hazard statements	H317 (100%), H334 (100%)

Documented Uses

• Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
• ACYLATION OF 6-AMINOPENICILLANIC ACID WITH MONOESTERS OF PHENYLMALONIC ACID FOLLOWED BY SAPONIFICATION WITH THE AID OF ALPHA-CHYMOTRYPSIN OR PANCREATIN
• ESSENTIALLY 100% AS AN ANTIBIOTIC (AS DISODIUM SALT)
• (1977) PROBABLY MORE THAN 9.07X10+5 G-DISODIUM
• (1979) PROBABLY MORE THAN 9.07X10+5 G-DISODIUM
• (1976) 1.4X10+5 G-PRINCPL CUSTMS DIST-DISODIUM

Synonyms

carbenicillin; 4697-36-3; Carboxybenzylpenicillin; Carbenicilina; Carbenicilline; alpha-Carboxybenzylpencillin; Carbenicillinum; Carbenicillina; CBPC; alpha-Phenyl(carboxymethylpenicillin); 6-(alpha-Carboxyphenylacetamido)penicillanic acid; CHEBI:3393; G42ZU72N5G; N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid; DTXSID6048464; Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenyl-

Frequently Asked Questions

What are the CAS number and molecular formula of carbenicillin?

CAS 4697-36-3; molecular formula C17H18N2O6S; molecular weight — g/mol.

What other names is carbenicillin known by?

carbenicillin, 4697-36-3, Carboxybenzylpenicillin, Carbenicilina, Carbenicilline, alpha-Carboxybenzylpencillin.

Is carbenicillin classified as hazardous?

Hazard statements reported: H317, H334.

What are the key physical properties of carbenicillin?

Solubility: 451; Solubility: 3.90e-01 g/L; LogP: 1.13; LogP: logP = 1.13.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.