CAS 73368-74-8 Phenoxymethylpenicillin calcium - Analytical Products / Alfa Chemistry

CAT	APS73368748
CAS	73368-74-8
Synonyms	4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, calcium salt (2:1), tetrahydrate, [2S-(2α,5α,6β)]- (9CI)
IUPAC Name	calcium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrahydrate
Molecular Weight	810.90
Molecular Formula	2C16H17N2O5S.Ca.4H2O
Canonical 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	InChI=1S/2C16H18N2O5S.Ca.4H2O/c21-16(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;;;;;/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);;41H2/q;;+2;;;;/p-2/t211-,12+,14-;;;;;/m11...../s1

Accurate Mass	810.1765
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
Product Type	API
Subcategory	International Pharmacopoeia