Chemical identity

Piperacillin Penicilloic Acid Isomer

CAS 1449784-97-7 · C23H29N5O8S

01Identity

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

Lazychem IDLC-25365
PubChem CID71768358
NamePiperacillin Penicilloic Acid Isomer
CAS RN1449784-97-7
Molecular formulaC23H29N5O8S
Molecular weight535.57 g/mol
IUPAC name(2S,4S)-2-((R)-Carboxy((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
InChIKeyOKSUEATVFIVTFV-AESZEHBQSA-N

02Structure identifiers

2D structurePubChem CID 71768358
Two-dimensional chemical structure of Piperacillin Penicilloic Acid Isomer, CAS 1449784-97-7
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 amines1
Tertiary amines0
N-methyl amine sites0
SMILESCCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O
InChINot listed
Formula from structureC23H29N5O8S
Molecular weight from structure535.57 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

2 records

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.

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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Piperacillin Penicilloic Acid Isomer with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Piperacillin Penicilloic Acid Isomer, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C23H28N6O9S
Candidate SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@@H]2SC(C)(C)[C@H](C(=O)O)N2N=O)c2ccccc2)C(=O)C1=O

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India 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 1449784-97-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1449784-97-7 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.

06Names and relationships

Associated parent compound

Piperacillin

View API and impurity family

Other names

  • (2s,4s)-2-[(R)-Carboxy{[(2r)-2-{[(4-Ethyl-2,3-Dioxopiperazin-1-Yl)carbonyl]amino}-2-Phenylacetyl]amino}methyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
  • (2R,4S)-2-((R)-carboxy((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
  • Q27467100
  • (2S,4S)-2-((R)-carboxy((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
  • 1449784-97-7

Related records from the same parent family

07Documented 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.

08Sources