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Product Overview

Product Code

TRC-B288590

CAS Number

808-71-9

Product Format

Neat

Molecular Formula

C22H32IN3O4S

Molecular Weight

561.48

API Family

Benzylpenicillin Diethylaminoethyl Ester Hydroiodide

Product Categories

TRC, API Reference Standards & Research Materials, Penicillins, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, API

Alternate CAS Number

Free base: 3689-73-4

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Benzylpenicillin Diethylaminoethyl Ester Hydroiodide

CAS Number

808-71-9

Molecular Formula

C22H32IN3O4S

Molecular Weight

561.48

Accurate Mass

561.1158

SMILES

I.CCN(CC)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc3ccccc3)C2=O

InChI

InChI=1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1

IUPAC

2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide

Alternate CAS Number

Free base: 3689-73-4

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Benzylpenicillin Diethylaminoethyl Ester Hydroiodide

Purity

>95% (HPLC)

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