Identität

Clorazepate

CAS 23887-31-2 · C16H11ClN2O3

01Identität

Lazychem IDLC-100974
CAS RN23887-31-2
PubChem CID2809
Molecular formulaC16H11ClN2O3
Molecular weight314.72 g/mol
IUPAC name7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
InChIKeyXDDJGVMJFWAHJX-UHFFFAOYSA-N

02Struktur und Stereochemie

2D structurePubChem CID 2809
Two-dimensional chemical structure of Clorazepate, CAS 23887-31-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O
InChINicht angegeben

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Status in Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen und Beziehungen

API und Ausgangsarzneistoff

Nicht angegeben

Namen und Beziehungen

  • clorazepate
  • Clorazepic acid
  • Cchlorazepic acid
  • 23887-31-2
  • 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
  • 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid
  • 4306-CB FREE ACID
  • D51WO0G0L4
  • ABBOTT-35616 FREE ACID
  • 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-
  • CHEBI:3761
  • DTXSID20863674

Verunreinigungen und verwandte Verbindungen

    06Quellen