Chemical identity

Cefdinir Related Compound A

CAS 178422-42-9 · C14H15N5O6S2

01Identity

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

Lazychem IDLC-09797
PubChem CID71587584
NameCefdinir Related Compound A
CAS RN178422-42-9
Molecular formulaC14H15N5O6S2
Molecular weight413.43 g/mol
IUPAC name(2R)-2-[(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetamido]-2-[(2RS,5RS)-5-methyl-7-oxo-2,4,5,7- tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl]acetic acid)
InChIKeyDKFLDACXFQGVEO-YJHPLJFSSA-N

02Structure identifiers

2D structurePubChem CID 71587584
2D structure: Cefdinir Related Compound A, CAS 178422-42-9
Structure of Cefdinir Related Compound A (CAS 178422-42-9). LazyChem record. Source identity: PubChem CID 71587584. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H15N5O6S2
InChIKeyDKFLDACXFQGVEO-YJHPLJFSSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres2
SMILESCC1C2=C(C(=O)O1)NC(SC2)[C@@H](C(=O)O)NC(=O)/C(=N\O)/C3=CSC(=N3)N
InChIInChI=1S/C14H15N5O6S2/c1-4-5-2-26-11(18-7(5)13(23)25-4)9(12(21)22)17-10(20)8(19-24)6-3-27-14(15)16-6/h3-4,9,11,18,24H,2H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t4?,9-,11?/m0/s1

03Stereochemistry

The published structure contains 1 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres22D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

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 Cefdinir Related Compound A, CAS 178422-42-9
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 178422-42-9 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 178422-42-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Cefdinir

View API and impurity family

Other names

  • (2R)-2-((Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetamido)2-((2RS,5RS)-5-methyl-7-oxo-2,4,5,7-tetrahydro-1H-furo(3,4-d)(1,3)thiazin-2-yl)acetic acid
  • UNII-5U6BX3A1F6
  • (2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-2-(5-methyl-7-oxo-1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl)acetic acid
  • Cefdinir CP Impurity I&J&K&L
  • Cefdinir USP Related Compound A

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