phenoxymethyl penicillinic acid*free acid

CAS 87-08-1C16H18N2O5SMW 350.4

phenoxymethyl penicillinic acid*free acid (CAS 87-08-1) — formula C16H18N2O5S, molecular weight 350.4.

Product Overview

CAS Number	87-08-1
Molecular Formula	C16H18N2O5S
Molecular Weight	350.4
Melting Point	120 - 128 °C
LogP	2.09

Technical Profile

What this product is

phenoxymethyl penicillinic acid*free acid is a chemical compound with CAS registry number 87-08-1 and molecular formula C16H18N2O5S (molecular weight 350.4).

Identification

CAS number: 87-08-1

Its molecular formula C16H18N2O5S comprises 16 C, 18 H, 2 N, 5 O, 1 S atoms.

Also known as: phenoxymethyl penicillinic acid*free acid · 苯氧基甲基青霉素酸*游离酸

Frequently Asked Questions

What is the CAS number of phenoxymethyl penicillinic acid*free acid?

The CAS registry number of phenoxymethyl penicillinic acid*free acid is 87-08-1.

What is the molecular formula and molecular weight of phenoxymethyl penicillinic acid*free acid?

Molecular formula C16H18N2O5S, molecular weight 350.4.

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

It is also registered under: phenoxymethyl penicillinic acid*free acid, 苯氧基甲基青霉素酸*游离酸.

PubChem Public Data

Independent reference data for phenoxymethyl penicillinic acid*free acid (CAS 87-08-1), compiled from public chemistry databases.

Registry identifiers across databases

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

Physicochemical values on record

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)

Documented uses on record

Synonyms and trade names

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

GHS hazard classification

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

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

What the public record says

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.

Physical description and handling notes

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