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Product Overview

Product Code

TRC-A634505

Product Format

Neat

Molecular Formula

C48 H57 N9 O15 S3 . x(Na)

API Family

Amoxicillin

Product Categories

TRC, Antibacterial, Antibiotics, Impurity Reference Materials , Penicillins, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Alternate CAS Number

174391-69-6; Trisodium salt: 94703-34-1

Documentation

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Product Information

Chemical Data

Analyte Name

Amoxicillin Trimer Sodium Salt

Molecular Formula

C48 H57 N9 O15 S3 . x(Na)

SMILES

[Na+].CC1(C)S[C@@H](N[C@H]1C(=O)O)[C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)N[C@@H](C(=O)N[C@@H]([C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)C(=O)N[C@@H](C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O)c6ccc(O)cc6)c7ccc(O)cc7

InChI

InChI=1S/C48H57N9O15S3.Na/c1-46(2)31(43(67)68)55-39(73-46)28(52-34(61)25(49)19-7-13-22(58)14-8-19)37(64)50-26(20-9-15-23(59)16-10-20)35(62)53-29(40-56-32(44(69)70)47(3,4)74-40)38(65)51-27(21-11-17-24(60)18-12-21)36(63)54-30-41(66)57-33(45(71)72)48(5,6)75-42(30)57;/h7-18,25-33,39-40,42,55-56,58-60H,49H2,1-6H3,(H,50,64)(H,51,65)(H,52,61)(H,53,62)(H,54,63)(H,67,68)(H,69,70)(H,71,72);/q;+1/t25-,26-,27-,28-,29-,30-,31+,32+,33+,39-,40-,42-;/m1./s1

Alternate CAS Number

174391-69-6; Trisodium salt: 94703-34-1

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Amoxicillin

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Chemical Data

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Amoxicillin Trimer Sodium Salt (>90%)

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