Chemical identity

5-Chloro-8-hydroxyquinoline Glucuronide

CAS 65851-39-0 · C15H14ClNO7

01Identity

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

Lazychem IDLC-03453
PubChem CID122360861
Name5-Chloro-8-hydroxyquinoline Glucuronide
CAS RN65851-39-0
Molecular formulaC15H14ClNO7
Molecular weight355.73 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-((5-Chloroquinolin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid
InChIKeyPAGDKVCRDHCKOY-DKBOKBLXSA-N

02Structure identifiers

2D structurePubChem CID 122360861
Two-dimensional chemical structure of 5-Chloro-8-hydroxyquinoline Glucuronide, CAS 65851-39-0
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC2=C(C=CC(=C2N=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl
InChINot listed
Formula from structureC15H14ClNO7
Molecular weight from structure355.73 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 65851-39-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 65851-39-0 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

  • 4-O-Methylglucuronic acid
  • 5-Chloro-8-hydroxyquinoline beta-D-glucuronide
  • 65851-39-0
  • RefChem:534887
  • 812-599-3
  • 5-Chloro-8-hydroxyquinoline Glucuronide
  • (2S,3S,4S,5R,6S)-6-(5-Chloroquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2S,3S,4S,5R,6S)-6-((5-Chloroquinolin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • C15H14ClNO7
  • MFCD29924274
  • 5-Chloro-8-quinolinyl-beta-D-glucopyranosiduronic Acid
  • (2S,3S,4S,5R,6S)-6-[(5-chloro-8-quinolyl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

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