Chemical identity

Ceftriaxone 7-ADCA Impurity / 7-Amino-deacetylcephalosporanic acid

CAS 15690-38-7 · C8H10N2O4S

01Identity

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

Lazychem IDLC-10174
PubChem CID85897
NameCeftriaxone 7-ADCA Impurity / 7-Amino-deacetylcephalosporanic acid
CAS RN15690-38-7
Molecular formulaC8H10N2O4S
Molecular weight230.24 g/mol
IUPAC name(6R,7R)-7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyBQIMPGFMMOZASS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 85897
2D structure: Ceftriaxone 7-ADCA Impurity / 7-Amino-deacetylcephalosporanic acid, CAS 15690-38-7
Structure of Ceftriaxone 7-ADCA Impurity / 7-Amino-deacetylcephalosporanic acid (CAS 15690-38-7). LazyChem record. Source identity: PubChem CID 85897. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC8H10N2O4S
InChIKeyBQIMPGFMMOZASS-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres2
SMILESC1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CO
InChIInChI=1S/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)

03Stereochemistry

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

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

Published same-connectivity configurations

5 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 15690-38-7 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 15690-38-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ceftriaxone

View API and impurity family

Other names

  • Ceftriaxone 7-ADCA Impurity
  • 7-Amino-deacetylcephalosporanic 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