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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24FNO5
Molecular Weight 437.4602
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3R,5S,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-8-HYDROXY-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOIC ACID

SMILES

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

InChI

InChIKey=XWHCMMKZXJAJMB-NDZBKKTDSA-N
InChI=1S/C25H24FNO5/c26-16-8-6-14(7-9-16)23-19-2-1-3-21(30)25(19)27-24(15-4-5-15)20(23)11-10-17(28)12-18(29)13-22(31)32/h1-3,6-11,15,17-18,28-30H,4-5,12-13H2,(H,31,32)/b11-10+/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H24FNO5
Molecular Weight 437.4602
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:20:39 UTC 2023
Edited
by admin
on Thu Jul 06 20:20:39 UTC 2023
Record UNII
LW7V5ZBK9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,5S,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-8-HYDROXY-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOIC ACID
Systematic Name English
6-HEPTENOIC ACID, 7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-8-HYDROXY-3-QUINOLINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
8-OH PITAVASTATIN
Common Name English
PITAVASTATIN METABOLITE M-13
Common Name English
Code System Code Type Description
FDA UNII
LW7V5ZBK9R
Created by admin on Thu Jul 06 20:20:39 UTC 2023 , Edited by admin on Thu Jul 06 20:20:39 UTC 2023
PRIMARY
PUBCHEM
51351911
Created by admin on Thu Jul 06 20:20:39 UTC 2023 , Edited by admin on Thu Jul 06 20:20:39 UTC 2023
PRIMARY
CAS
224320-09-6
Created by admin on Thu Jul 06 20:20:39 UTC 2023 , Edited by admin on Thu Jul 06 20:20:39 UTC 2023
PRIMARY
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