苯氧基甲基青霉素酸*游离酸

Description

phenoxymethyl penicillinic acid*free acid · CAS 87-08-1 · C16H18N2O5S. UNII Z61I075U2W. Melting Point: 120 - 128 °C; Solubility: <0.1 g/100mL; Solubility: 4.54e-01 g/L.

Identification

CAS Registry Number	87-08-1
PubChem CID	6869
Molecular formula	C16H18N2O5S
IUPAC name	(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
UNII (FDA)	Z61I075U2W

Computed Descriptors

Molecular Weight	350.4
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	350.09364285
Monoisotopic Mass	350.09364285
Topological Polar Surface Area	121
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Melting Point	120 - 128 °C
Solubility	<0.1 g/100mL
Solubility	4.54e-01 g/L
LogP	2.09
LogP	1.4
LogP	1.95
Dissociation Constants	2.735
Dissociation Constants	2.79
Dissociation Constants	pKa 2.73
Other Experimental Properties	120-128 °C (decomp)

Physical description & handling notes

• Penicillin v is a white crystalline powder. (NTP, 1992)
• Solid
• white, crystalline powder
• Odorless
• 248 to 262 °F (Decomposes) (NTP, 1992)
• less than 1 mg/mL at 55 °F (NTP, 1992)

GHS Hazard Classification

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

Documented Uses

• Used to prepare 6-APA on a large scale by selective enzymatic hydrolysis
• Use (kg; approx.) in Germany (2009): >25000
• Use (kg; exact) in Germany (2009): 48895
• Consumption (g per capita; approx.) in Germany (2009): 0.305
• Consumption (g per capita; exact) in Germany (2009): 0.597
• Natural penicillins are produced by fermentation of mutant strains of Penicillium chrysogenum. ... Penicillin ... V /is/ produced by adding ... phenoxyacetic acid ... to the culture media.

Synonyms

penicillin v; Phenoxymethylpenicillin; 87-08-1; Oracillin; Vebecillin; Penicillin phenoxymethyl; Phenopenicillin; Distaquaine V; Meropenin; Phenomycilline; V-Cillin; Fenospen; Beromycin; Fenacilin; Stabicillin; Apopen

Frequently Asked Questions

What are the CAS number and molecular formula of phenoxymethyl penicillinic acid*free acid?

CAS 87-08-1; molecular formula C16H18N2O5S; molecular weight — g/mol.

What other names is phenoxymethyl penicillinic acid*free acid known by?

penicillin v, Phenoxymethylpenicillin, 87-08-1, Oracillin, Vebecillin, Penicillin phenoxymethyl.

Is phenoxymethyl penicillinic acid*free acid classified as hazardous?

Hazard statements reported: H317, H334.

What are the key physical properties of phenoxymethyl penicillinic acid*free acid?

Melting Point: 120 - 128 °C; Solubility: <0.1 g/100mL; Solubility: 4.54e-01 g/L; LogP: 2.09.

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.