Identiteit

Bethanechol

CAS 674-38-4 · C7H17N2O2+

01Identiteit

Lazychem IDLC-100702
CAS RN674-38-4
PubChem CID2370
Molecular formulaC7H17N2O2+
Molecular weight161.22 g/mol
IUPAC name2-carbamoyloxypropyl(trimethyl)azanium
InChIKeyNZUPCNDJBJXXRF-UHFFFAOYSA-O

02Structuur en stereochemie

2D structurePubChem CID 2370
Two-dimensional chemical structure of Bethanechol, CAS 674-38-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESCC(C[N+](C)(C)C)OC(=O)N
InChINiet vermeld

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 India

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

05Namen en relaties

API en moedergeneesmiddel

Niet vermeld

Namen en relaties

  • bethanechol
  • 674-38-4
  • Amidopropyldimethylbetaine
  • Carbamyl-beta-methylcholine
  • Carbamoyl-beta-methylcholine
  • (2-Hydroxypropyl)trimethylammonium carbamate
  • Besacholine
  • 2-carbamoyloxypropyl-trimethylazanium
  • beta-Methyl carbachol chloride
  • Bethaine choline chloride
  • 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium
  • Uro-Carb

Onzuiverheden en verwante verbindingen

    06Bronnen