Analyte Name

Phenoxymethylpenicillin calcium

CAS Number

73368-74-8

Molecular Formula

2 C16 H17 N2 O5 S . Ca . 4 H2 O

Molecular Weight

810.90

Measured Value

98.3 %

Accurate Mass

810.1765

Flash Point

0

SMILES

O.O.O.O.[Ca+2].CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].CC4(C)S[C@@H]5[C@H](NC(=O)COc6ccccc6)C(=O)N5[C@H]4C(=O)[O-]

InChI

, /p-2/t2*11-,12+,14-, , InChI=1S/2C16H18N2O5S.Ca.4H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9, +2, /m11...../s1, 4*1H2/q, /h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)

IUPAC

calcium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrahydrate

Country of Origin

FRANCE

Tariff Code

29411000

Product Format

Neat

API Family

See respective official monograph(s)

Analytical Method

Monograph only