Identität

Mapenterol-D11 (HCl Salt)

CAS 1325559-18-9 · C14H9D11ClF3N2O : HCl

01Identität

Lazychem IDLC-19460
CAS RN1325559-18-9
PubChem CID71312565
Molecular formulaC14H9D11ClF3N2O : HCl
Molecular weight335.8 : 36.5 g/mol
IUPAC name1-(4-Amino-3-chloro-5-(trifluoromethyl)phenyl)-2-((2-(methyl-d3)butan-2-yl-1,1,1,3,3,4,4,4-d8)amino)ethan-1-ol hydrochloride
InChIKeyLWJSGOMCMMDPEN-IJXFQFNHSA-N

02Struktur und Stereochemie

2D structurePubChem CID 71312565
Two-dimensional chemical structure of Mapenterol-D11 (HCl Salt), CAS 1325559-18-9
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
SMILESOC(C1=CC(C(F)(F)F)=C(N)C(Cl)=C1)CNC(C([2H])([2H])C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[H]Cl
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

Mapenterol

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • 1-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-(1, 1-dimethylpropylamino)ethanol hydrochloride
  • Benzenemethanol, 4-amino-3-chloro-alpha-[[(1, 1-dimethylpropyl)amino]methyl]-5-(trifluoromethyl)-, hydrochloride

Verunreinigungen und verwandte Verbindungen

06Quellen