Chemical identity

Cloxacillin EP Impurity B / Penilloic Acid of Cloxacillin

CAS 1642559-64-5 · C18H20ClN3O4S

01Identity

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

Lazychem IDLC-11335
PubChem CID155801562
NameCloxacillin EP Impurity B / Penilloic Acid of Cloxacillin
CAS RN1642559-64-5
Molecular formulaC18H20ClN3O4S
Molecular weight409.89 g/mol
IUPAC name(2RS,4S)-2-[[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKeyQNBJJEXBUJGUBR-CVRLYYSRSA-N

02Structure identifiers

2D structurePubChem CID 155801562
2D structure: Cloxacillin EP Impurity B / Penilloic Acid of Cloxacillin, CAS 1642559-64-5
Structure of Cloxacillin EP Impurity B / Penilloic Acid of Cloxacillin (CAS 1642559-64-5). LazyChem record. Source identity: PubChem CID 155801562. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H20ClN3O4S
InChIKeyQNBJJEXBUJGUBR-CVRLYYSRSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres1
SMILESCC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3N[C@H](C(S3)(C)C)C(=O)O
InChIInChI=1S/C18H20ClN3O4S/c1-9-13(14(22-26-9)10-6-4-5-7-11(10)19)16(23)20-8-12-21-15(17(24)25)18(2,3)27-12/h4-7,12,15,21H,8H2,1-3H3,(H,20,23)(H,24,25)/t12?,15-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before 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

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Cloxacillin EP Impurity B / Penilloic Acid of Cloxacillin, CAS 1642559-64-5
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1642559-64-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1642559-64-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Cloxacillin

View API and impurity family

Other names

  • Cloxacillin EP Impurity B
  • Penilloic Acid of Cloxacillin
  • (4S)-2-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
  • Cloxacillin penilloic acid
  • Cloxacillin Sodium EP Impurity B
  • Cloxacillin sodium impurity B [EP]
  • (2RS,4S)-2-((((3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl)carbonyl)amino)methyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
  • CLOXACILLIN SODIUM IMPURITY B [EP IMPURITY]
  • (4S)-2-[[[[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid

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