Chemical identity

Diphenhydramine N-Glucuronide

CAS 137908-78-2 · C23H29NO7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13141
PubChem CID178420
NameDiphenhydramine N-Glucuronide
CAS RN137908-78-2
Molecular formulaC23H29NO7
Molecular weight431.49 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-((2-(benzhydryloxy)ethyl)dimethylammonio)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
InChIKeyOAIGZXXQYIJBLR-WJJPVSRMSA-N

02Structure identifiers

2D structurePubChem CID 178420
Two-dimensional chemical structure of Diphenhydramine N-Glucuronide, CAS 137908-78-2
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
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O
InChINot listed
Formula from structureC23H29NO7
Molecular weight from structure431.49 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 137908-78-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 137908-78-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Diphenhydramine

View API and impurity family

Other names

  • Diphenhydramine N-beta-D-glucuronide
  • Ethanaminium, 2-(diphenylmethoxy)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, inner salt
  • 137908-78-2
  • DTXSID701128315
  • RefChem:1084324
  • DTXCID401559818
  • Diphenhydramine N-glucuronide
  • Diphenhydramine N-b-D-Glucuronide
  • (2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
  • (2S,3S,4S,5R,6R)-6-((2-(Benzhydryloxy)ethyl)dimethylammonio)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
  • Ethanaminium, 2-(diphenylmethoxy)-N-ss-D-glucopyranuronosyl-N,N-dimethyl-, inner salt
  • Diphenhydramine N-ss-D-Glucuronide

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources