U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22FNO4
Molecular Weight 419.4449
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3R,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL)-3-HYDROXY-5-OXO-6-HEPTENOIC ACID

SMILES

O[C@@H](CC(O)=O)CC(=O)\C=C\C1=C(C2=CC=C(F)C=C2)C3=CC=CC=C3N=C1C4CC4

InChI

InChIKey=GSCOCVOFYBEZGB-TZZQJPOUSA-N
InChI=1S/C25H22FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,19,29H,5-6,13-14H2,(H,30,31)/b12-11+/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H22FNO4
Molecular Weight 419.4449
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:10:21 UTC 2023
Edited
by admin
on Thu Jul 06 16:10:21 UTC 2023
Record UNII
VSZ43HE9FC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL)-3-HYDROXY-5-OXO-6-HEPTENOIC ACID
Systematic Name English
PITAVASTATIN METABOLITE M-3
Common Name English
DIHYDROXY PITAVASTATIN
Common Name English
6-HEPTENOIC ACID, 7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL)-3-HYDROXY-5-OXO-, (3R,6E)-
Systematic Name English
Code System Code Type Description
CAS
222306-15-2
Created by admin on Thu Jul 06 16:10:21 UTC 2023 , Edited by admin on Thu Jul 06 16:10:21 UTC 2023
PRIMARY
FDA UNII
VSZ43HE9FC
Created by admin on Thu Jul 06 16:10:21 UTC 2023 , Edited by admin on Thu Jul 06 16:10:21 UTC 2023
PRIMARY
PUBCHEM
57574064
Created by admin on Thu Jul 06 16:10:21 UTC 2023 , Edited by admin on Thu Jul 06 16:10:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
FECAL