Chemical identity

Open Ring Desulfated Aztreonam

CAS 102586-36-7 · C13H19N5O6S

01Identity

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

Lazychem IDLC-24145
PubChem CID71587392
NameOpen Ring Desulfated Aztreonam
CAS RN102586-36-7
Molecular formulaC13H19N5O6S
Molecular weight373.38 g/mol
IUPAC name(2S,3S)-3-Amino-2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]butanoic Acid
InChIKeyVWNDKSPHIKVWBM-VQSOLXJISA-N

02Structure identifiers

2D structurePubChem CID 71587392
Two-dimensional chemical structure of Open Ring Desulfated Aztreonam, CAS 102586-36-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]([C@@H](C(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C1=CSC(=N1)N)N
InChINot listed
Formula from structureC13H19N5O6S
Molecular weight from structure373.38 g/mol

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 102586-36-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 102586-36-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Aztreonam

View API and impurity family

Other names

  • Open-ring desulfated aztreonam
  • 102586-36-7
  • UNII-D2GEP437EQ
  • D2GEP437EQ
  • (2S,3S)-3-amino-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]butanoic acid
  • Butanoic acid, 3-amino-2-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-, (2S,3S)-
  • Aztreonam Impurity B
  • (2S,3S)-3-Amino-2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]but
  • Aztreonam USP RC B(Open-ring Desulfated Aztreonam)
  • Q27276015
  • (2S,3S)-3-amino-2-((Z)-2-(2-aminothiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)butanoic acid
  • BUTANOIC ACID, 3-AMINO-2-(((2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (S-(R*,R*-(Z)))-

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