Analyte Name

Benzathine benzylpenicillin

CAS Number

1538-09-6

Molecular Formula

C16 H20 N2 . 2 C16 H18 N2 O4 S

Molecular Weight

909.12

Accurate Mass

908.3601

Flash Point

5

SMILES

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/c2*1-16(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/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1

IUPAC

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

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Product Type

API

Product Format

Neat

API Family

Benzylpenicillin Benzathine (Penicillin G Benzathine)

Analytical Method

Monograph only