Identität

Benzyl phenylephrine

CAS 286426-31-1 · C₁₆H₁₉NO₂

01Identität

Lazychem IDLC-31485
CAS RN286426-31-1
PubChem CID93981480
Molecular formulaC₁₆H₁₉NO₂
Molecular weight257.33 g/mol
IUPAC name(R)-3-(2-Amino-1-hydroxyethyl)phenol
InChIKeyJBBZPOHBHNEKIM-MRXNPFEDSA-N

02Struktur und Stereochemie

2D structurePubChem CID 93981480
Two-dimensional chemical structure of Benzyl phenylephrine, CAS 286426-31-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines1
SMILESCN(CC1=CC=CC=C1)C[C@H](C2=CC(=CC=C2)O)O
InChINicht angegeben

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

4 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.

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

Phenylephrine

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • Benzenemethanol, 3-hydroxy-alpha-[[methyl(phenylmethyl)amino]methyl]-, (alphaS)-
  • 286426-31-1
  • Phenylephrine Impurity 30
  • Epinephrine Impurity 7
  • DTXSID401162255
  • NS00077942
  • (S)-3-(2-(benzyl(methyl)amino)-1-hydroxyethyl)phenol
  • 3-{(1S)-2-[Benzyl(methyl)amino]-1-hydroxyethyl}phenol
  • (I+/-S)-3-Hydroxy-I+/--[[methyl(phenylmethyl)amino]methyl]benzenemethanol

Verunreinigungen und verwandte Verbindungen

06Quellen