Chemical identity

Cefazolin 3-Hydroxymethyl Impurity

CAS 478494-71-2 · C11H12N6O5S

01Identity

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

Lazychem IDLC-09752
PubChem CID124584303
NameCefazolin 3-Hydroxymethyl Impurity
CAS RN478494-71-2
Molecular formulaC11H12N6O5S
Molecular weight340.3 g/mol
IUPAC name(6R,7R)-7-(2-(1H-Tetrazol-1-yl)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyYGQTUWKIILQPEL-GMSGAONNSA-N

02Structure identifiers

2D structurePubChem CID 124584303
2D structure: Cefazolin 3-Hydroxymethyl Impurity, CAS 478494-71-2
Structure of Cefazolin 3-Hydroxymethyl Impurity (CAS 478494-71-2). LazyChem record. Source identity: PubChem CID 124584303. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC11H12N6O5S
InChIKeyYGQTUWKIILQPEL-GMSGAONNSA-N
Ring count3
Defined stereocentres2
Unassigned stereocentres0
SMILESC1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CO
InChIInChI=1S/C11H12N6O5S/c18-2-5-3-23-10-7(9(20)17(10)8(5)11(21)22)13-6(19)1-16-4-12-14-15-16/h4,7,10,18H,1-3H2,(H,13,19)(H,21,22)/t7-,10-/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

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 478494-71-2 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 478494-71-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cefazolin

View API and impurity family

Other names

  • Cefazolin 3-hydroxymethyl
  • Des[(5-methyl-1,3,4-thiadiazol-2-yl)thio] Cefazolin-3-methanol
  • (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-(2-(1H-Tetrazol-1-yl)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-, (6R,7R)-
  • UNII-WK7TY2EQP9
  • Cefazolin Impurity 11Cefazolin USP Impurity E

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