Identita

Phenylephrine Glucuronide

CAS 2021255-73-0 · C15H21NO8

01Identita

Lazychem IDLC-25131
CAS RN2021255-73-0
PubChem CID71751611
Molecular formulaC15H21NO8
Molecular weight343.33 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-((R)-1-hydroxy-2-(methylamino)ethyl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyDMVJUYDQYGHJIC-QBOXMOKDSA-N

02Struktura a stereochemie

2D structurePubChem CID 71751611
Two-dimensional chemical structure of Phenylephrine Glucuronide, CAS 2021255-73-0
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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count2
Secondary amines1
Tertiary amines0
SMILESCNC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O
InChINeuvedeno

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Phenylephrine

Nečistoty a související sloučeniny

Názvy a vztahy

  • Phenylephrine-D-glucuronide
  • Phenylephrine Glucuronide
  • 2021255-73-0
  • (R)-Phenylephrine Beta-D-Glucuronide
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy]oxane-2-carboxylic acid
  • PE-3-GLUCURONIDE
  • 2YHZ5B4FDS
  • Phenylephrine-3-O-glucuronide
  • orb2283012
  • PHENYLEPHRINE-3-GLUCURONIDE
  • (R)-Phenylephrine b-D-Glucuronide
  • (R)-Phenylephrine ?-D-Glucuronide

Nečistoty a související sloučeniny

06Zdroje