CAS 41372-02-5 Benzathine penicilline G tetrahydrate - Analytical Products / Alfa Chemistry

CAT	APS41372025
CAS	41372-02-5
Structure
IUPAC Name	N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;tetrahydrate
Molecular Weight	981.18
Molecular Formula	C16H20N2.2C16H18N2O4S.4H2O
Canonical SMILES	O.O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C(CNCc7ccccc7)NCc8ccccc8
InChI	InChI=1S/2C16H18N2O4S.C16H20N2.4H2O/c21-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;41H2/t211-,12+,14-;;;;;/m11...../s1

Accurate Mass	980.4024
Format	Neat
Shipping	Room Temperature
Storage Conditions	+20°C
Subcategory	Pharmaceutical and veterinary compounds and metabolites

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