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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H32FNO10
Molecular Weight 597.5849
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R,5S,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOATE)

SMILES

O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C3=CC=CC=C3N=C1C4CC4)CC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=QBNFJKKTKRSBGF-SEKOGJSVSA-N
InChI=1S/C31H32FNO10/c32-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)33-25(16-5-6-16)21(24)12-11-18(34)13-19(35)14-23(36)42-31-28(39)26(37)27(38)29(43-31)30(40)41/h1-4,7-12,16,18-19,26-29,31,34-35,37-39H,5-6,13-14H2,(H,40,41)/b12-11+/t18-,19-,26+,27+,28-,29+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H32FNO10
Molecular Weight 597.5849
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
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
BN4M24Z4TQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R,5S,6E)-7-(2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOATE)
Systematic Name English
PITAVASTATIN GLUCORONIDE
Common Name English
PITAVASTATIN METABOLITE UM-2
Common Name English
Code System Code Type Description
CAS
574752-66-2
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
FDA UNII
BN4M24Z4TQ
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
131881387
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
Related Record Type Details
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URINE