Chemical identity

7-Hydroxycoumarin Glucuronide

CAS 66695-14-5 · C15H14O9

01Identity

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

Lazychem IDLC-03926
PubChem CID125641
Name7-Hydroxycoumarin Glucuronide
CAS RN66695-14-5
Molecular formulaC15H14O9
Molecular weight338.27 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyPRYLPCLGPXGILY-DKBOKBLXSA-N

02Structure identifiers

2D structurePubChem CID 125641
2D structure: 7-Hydroxycoumarin Glucuronide, CAS 66695-14-5
Structure of 7-Hydroxycoumarin Glucuronide (CAS 66695-14-5). LazyChem record. Source identity: PubChem CID 125641. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H14O9
InChIKeyPRYLPCLGPXGILY-DKBOKBLXSA-N
Ring count3
Defined stereocentres5
Unassigned stereocentres0
SMILESC1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChIInChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1

03Stereochemistry

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

Defined stereocentres52D structure
Unassigned stereocentres02D structure
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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 66695-14-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 66695-14-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Coumarin

View API and impurity family

Other names

  • 7-Hydroxycoumarin glucuronide
  • 7-hydroxycoumarin O(7)-glucosiduronic acid
  • 7-hydroxycoumarin O-glucuronide
  • 2-Oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
  • 2-oxo-2H-chromen-7-yl beta-D-glucopyranosiduronic acid
  • Umbelliferone glucuronide

Related records from the same parent family

No related records are linked by parent name.

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