Chemical identity

1-Naphthyl-β-D-glucuronide Sodium Salt

CAS 83833-12-9 · C16H15NaO7

01Identity

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

Lazychem IDLC-01292
PubChem CID44152247
Name1-Naphthyl-β-D-glucuronide Sodium Salt
CAS RN83833-12-9
Molecular formulaC16H15NaO7
Molecular weight342.28 g/mol
IUPAC nameSodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(naphthalen-1-yloxy)tetrahydro-2H-pyran-2-carboxylate
InChIKeyNYYIXWAJCYTTOL-YYHOVTOASA-M

02Structure identifiers

2D structurePubChem CID 44152247
Two-dimensional chemical structure of 1-Naphthyl-β-D-glucuronide Sodium Salt, CAS 83833-12-9
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
SMILESC1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+]
InChINot listed
Formula from structureC16H15NaO7
Molecular weight from structure342.28 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 83833-12-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 83833-12-9 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

Glucuronic Acid

View API and impurity family

Other names

  • Methyl 2, 3, 4-tri-O-benzoyl-D-glucopyranuronate
  • methyl (2S, 3S, 4S, 5R)-3, 4, 5-tribenzoyloxy-6-hydroxyoxane-2-carboxylate
  • (3R, 4S, 5S, 6S)-2-Hydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-3, 4, 5-triyl tribenzoate
  • Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(naphthalen-1-yloxy)tetrahydro-2H-pyran-2-carboxylate
  • 83833-12-9
  • 1-Naphthol beta-D-Glucuronide Sodium Salt
  • MFCD00051152
  • 1-Naphthyl-beta-D-glucuronide sodium salt
  • 1-Naphthol b-D-Glucuronide Sodium Salt
  • 1-Naphthyl b-D-glucuronide sodium salt
  • sodium
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylate

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