Identità

Benztropine

CAS 86-13-5 · C21H25NO

01Identità

Lazychem IDLC-100689
CAS RN86-13-5
PubChem CID1201549
Molecular formulaC21H25NO
Molecular weight307.4 g/mol
IUPAC name(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
InChIKeyGIJXKZJWITVLHI-YOFSQIOKSA-N

02Struttura e stereochimica

2D structurePubChem CID 1201549
Two-dimensional chemical structure of Benztropine, CAS 86-13-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count4
Secondary amines0
Tertiary amines1
SMILESCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChINon indicato

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

  • med.21724, Compound Benztropine
  • RefChem:1088905
  • benztropine
  • Benzatropine
  • 86-13-5
  • Cobrentin
  • Tropine benzohydryl ether
  • Benzatropina
  • Benzatropinum
  • Benztropinum
  • Cogentine
  • Akitan

Impurezze e composti correlati

    06Fonti