Product Code

TRC-A794740

CAS Number

74469-00-4

Product Format

Neat

Molecular Formula

4(C16H19N3O5S)•(C8H8KNO5)

Molecular Weight

4365.4023725

API Family

Amoxicillin

Product Categories

Antibacterial, Antibiotics, API Reference Standards & Research Materials, Penicillins, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

API

Alternate CAS Number

Free acid: 79198-29-1

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Augmentin

CAS Number

74469-00-4

Molecular Formula

4(C16H19N3O5S)•(C8H8KNO5)

Molecular Weight

4365.4023725

Accurate Mass

602.1085

SMILES

O=C1N([C@H]/2C(O[K])=O)[C@](C1)([H])OC2=C/CO.O=C3N4[C@]([C@@H]3NC([C@H](N)C5=CC=C(O)C=C5)=O)([H])SC(C)(C)[C@@H]4C(O)=O

InChI

InChI=1S/C16H19N3O5S.C8H9NO5.K/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13);/q;;+1/p-1/b;4-1-;/t9-,10-,11+,14-;6-,7-;/m11./s1

IUPAC

potassium;(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Alternate CAS Number

Free acid: 79198-29-1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Amoxicillin

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Augmentin

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