Deloxolone

Highest phase reached
Drug type
Small molecule

Listing at source
Listed
Highest phase reached

Drug type
Small molecule
Drug name
Deloxolone
Molecular weight
Structure (SMILES)
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)C3=CC[C@@H]4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

  • 3 beta hydroxyolean 9 11 en 30 oic acid hydrogen succinate
  • 3.BETA.-HYDROXYOLEAN-9(11)-EN-30-OIC ACID, HYDROGEN SUCCINATE
  • deloxolona
  • Deloxolona
  • deloxolone
  • Deloxolone
  • deloxolone [INN]
  • deloxolone inn

CAS registry numbers
  • 68635-50-7
ChEMBL ID
CHEMBL2106405
InChIKey
VRFVGZRKFFTPCG-KYHPDETOSA-N
PubChem compound IDs
  • 205973
FDA ingredient codes (UNII)
  • I0E16819I3

First in class
No
Orphan designation
No

Drug name stem
-olone

Hydrogen bond acceptors
4
Hydrogen bond donors
2
Polar surface area
100.9
Calculated partition coefficient (ALogP)
7.65
Calculated partition coefficient (XLogP)
7.6
Prodrug
No
Chirality
Single enantiomer
Inorganic
No
Rule-of-five violations
2
Rotatable bonds
5
Heavy atoms
40
Molecular formula
C34H52O6
Monoisotopic mass
556.37638937
Natural product
No

Related records

Trials (49)