Benzoyl glucuronide
CAS Registry Number®
19237-53-7
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CAS Name
Benzoyl glucuronideMolecular Formula
C13H14O8Molecular Mass
298.25Cite this Page
Benzoyl glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=19237-53-7 (retrieved ) (CAS RN: 19237-53-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
InChIKey
InChIKey=NLOPFVNXNMEEDI-UNLLLRGISA-N
SMILES
O(C(=O)C1=CC=CC=C1)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O
Canonical SMILES
O=C(O)C1OC(OC(=O)C=2C=CC=CC2)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranuronic acid, 1-benzoate
- Glucopyranuronic acid, 1-benzoate, β-D-
- Glucopyranuronic acid, 1-benzoate
- Benzoyl glucuronide
- Benzoic acid β-D-glucuronide
Deleted or Replaced CAS Registry Numbers
96180-82-4, 19132-90-2, 26082-90-6, 29964-74-7, 30138-84-2, 30259-70-2
