Chemical identity

Cefaclor EP Impurity B

CAS 53994-69-7 · C7H7ClN2O3S

01Identity

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

Lazychem IDLC-09645
PubChem CID6998927
NameCefaclor EP Impurity B
CAS RN53994-69-7
Molecular formulaC7H7ClN2O3S
Molecular weight234.66 g/mol
IUPAC name(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo- [4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyOQSAFIZCBAZPMY-AWFVSMACSA-N

02Structure identifiers

2D structurePubChem CID 6998927
2D structure: Cefaclor EP Impurity B, CAS 53994-69-7
Structure of Cefaclor EP Impurity B (CAS 53994-69-7). LazyChem record. Source identity: PubChem CID 6998927. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC7H7ClN2O3S
InChIKeyOQSAFIZCBAZPMY-AWFVSMACSA-N
Ring count2
Defined stereocentres2
Unassigned stereocentres0
SMILESC1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)Cl
InChIInChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 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.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 53994-69-7 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 53994-69-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cefaclor

View API and impurity family

Other names

  • 7-Amino-3-Chloro Cephalosporanic Acid
  • 7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLIC ACID
  • 3-Chloro-7-amino-3-cephem-4-carboxylic Acid
  • (6R-trans)-7-amino-3-chloro-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7beta-amino-3-chloro-3-cephem-4-carboxylic acid
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-CHLORO-8-OXO-, (6R, 7R)-
  • (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • EINECS 258-907-4
  • EC 258-907-4
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-CHLORO-8-OXO-, (6R-TRANS)-

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