Identità

Mapenterol-D6 (HCl Salt)

CAS 1246816-02-3 · C14H15D6Cl2F3N2O

01Identità

Lazychem IDLC-19459
CAS RN1246816-02-3
PubChem CID71749904
Molecular formulaC14H15D6Cl2F3N2O
Molecular weight367.27 g/mol
IUPAC name4-Amino-3-chloro-α-[[(1,1-dimethylpropyl-d6)amino]methyl]-5-(trifluoromethyl)benzenemethanol Hydrochloride
InChIKeyLWJSGOMCMMDPEN-HVTBMTIBSA-N

02Struttura e stereochimica

2D structurePubChem CID 71749904
Two-dimensional chemical structure of Mapenterol-D6 (HCl Salt), CAS 1246816-02-3
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
SMILESClC1=CC(C(O)CNC(CC)(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC(C(F)(F)F)=C1N.Cl
InChINon indicato

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.

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

Mapenterol

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    06Fonti