Chemical identity

N-Pivaloyl Amoxicillin

CAS 1313237-94-3 · C21H27N3O6S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-22789
PubChem CID131667699
NameN-Pivaloyl Amoxicillin
CAS RN1313237-94-3
Molecular formulaC21H27N3O6S
Molecular weight449.52 g/mol
IUPAC nameN-(2,2,Dimethyl-1-oxopropyl)-Amoxicillin
InChIKeySEPXWAZZCPMULA-VWPFQQQWSA-N

02Structure identifiers

2D structurePubChem CID 131667699
Two-dimensional chemical structure of N-Pivaloyl Amoxicillin, CAS 1313237-94-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C(C)(C)C)C(=O)O)C
InChINot listed
Formula from structureC21H27N3O6S
Molecular weight from structure449.52 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1313237-94-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1313237-94-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Amoxicillin

View API and impurity family

Other names

  • N-Pivaloyl Amoxicillin
  • CID 131667699
  • 1313237-94-3
  • (2S,5R,6R)-6-[[(2R)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6R)-6-((R)-2-(4-hydroxyphenyl)-2-pivalamidoacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Amoxicillin Impurity 7
  • (2S,5R,6R)-6-[[(2R)-2-[(2,2-Dimethyl-1-oxopropyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources