Identità

(S)-Propranolol Glucuronide

Mhux elenkat · C22H29NO8

01Identità

Lazychem IDLC-00899
CAS RNMhux elenkat
PubChem CID91438218
Molecular formulaC22H29NO8
Molecular weight435.48 g/mol
IUPAC name(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(((R)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyPCALHJGQCKATMK-YZMAZEDOSA-N

02Struttura u stereokimika

2D structurePubChem CID 91438218
Two-dimensional chemical structure of (S)-Propranolol Glucuronide
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Ring count3
Secondary amines1
Tertiary amines0
SMILESCC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChIMhux elenkat

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.

04Status fl-Indja

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

05Ismijiet u relazzjonijiet

API u mediċina prinċipali

Propranolol

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