cloxacillin

CAS 61-72-3C19H18ClN3O5SMW 435.9

cloxacillin (CAS 61-72-3) — formula C19H18ClN3O5S, molecular weight 435.9.

Product Overview

CAS Number	61-72-3
Molecular Formula	C19H18ClN3O5S
Molecular Weight	435.9
LogP	2.48

Technical Profile

What this product is

cloxacillin is a chemical compound with CAS registry number 61-72-3 and molecular formula C19H18ClN3O5S (molecular weight 435.9).

Identification

CAS number: 61-72-3

Its molecular formula C19H18ClN3O5S comprises 19 C, 18 H, 1 Cl, 3 N, 5 O, 1 S atoms.

Also known as: cloxacillin · 氯唑西林

Frequently Asked Questions

What is the CAS number of cloxacillin?

The CAS registry number of cloxacillin is 61-72-3.

What is the molecular formula and molecular weight of cloxacillin?

Molecular formula C19H18ClN3O5S, molecular weight 435.9.

What other names is cloxacillin known by?

It is also registered under: cloxacillin, 氯唑西林.

PubChem Public Data

Independent reference data for cloxacillin (CAS 61-72-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	61-72-3
PubChem CID	6098
Molecular formula	C19H18ClN3O5S
IUPAC name	(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
UNII (FDA)	O6X5QGC2VB

Computed descriptors

Molecular Weight	435.9
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	435.0655696
Monoisotopic Mass	435.0655696
Topological Polar Surface Area	138
Heavy Atom Count	29

Physicochemical values on record

Solubility	5.32e-02 g/L
LogP	2.48
LogP	LogP = 2.44
LogP	2.86
Dissociation Constants	2.78
Collision Cross Section	200.94 Å² [M-H]-

Documented uses on record

Synonyms and trade names

cloxacillin; 61-72-3; Cloxacilline; Cloxacillinum; Cloxacilina; Methocillin S; Syntarpen; Clossacillina; Chloroxacillin; O6X5QGC2VB; (3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin; CHEBI:49566; 6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid; cloxacillina; Cloxacillin, Sodium; Sodium, Cloxacillin

GHS hazard classification

Reported hazard statements	H315 (85.4%), H317 (91.7%), H319 (85.4%), H334 (97.9%), H335 (85.4%)

H315 (85.4%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (91.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

What the public record says

cloxacillin · CAS 61-72-3 · C19H18ClN3O5S. UNII O6X5QGC2VB. Solubility: 5.32e-02 g/L; LogP: 2.48; LogP: LogP = 2.44.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.