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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11Cl3O7
Molecular Weight 325.528
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UROCHLORALIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@H](OCC(Cl)(Cl)Cl)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=IQOASJJGUQMXDW-GHQVIJFQSA-N
InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H11Cl3O7
Molecular Weight 325.528
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:00:43 GMT 2025
Edited
by admin
on Mon Mar 31 19:00:43 GMT 2025
Record UNII
QQK44OGN65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UROCHLORALIC ACID [MI]
Preferred Name English
UROCHLORALIC ACID
MI  
Common Name English
2,2,2-TRICHLOROETHANOL GLUCURONIDE
Common Name English
Code System Code Type Description
MESH
C041653
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY
FDA UNII
QQK44OGN65
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID30242658
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY
PUBCHEM
3036914
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY
CAS
97-25-6
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY
MERCK INDEX
m11339
Created by admin on Mon Mar 31 19:00:43 GMT 2025 , Edited by admin on Mon Mar 31 19:00:43 GMT 2025
PRIMARY Merck Index