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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24FN3O3
Molecular Weight 421.465
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-071

SMILES

Cc1c(Cc2ccc(cc2)-n3cccn3)cc4c(CN([C@@]5([H])COCC[C@]5([H])O)C4=O)c1F

InChI

InChIKey=WFSARWQASFQZMG-VXKWHMMOSA-N
InChI=1S/C24H24FN3O3/c1-15-17(11-16-3-5-18(6-4-16)28-9-2-8-26-28)12-19-20(23(15)25)13-27(24(19)30)21-14-31-10-7-22(21)29/h2-6,8-9,12,21-22,29H,7,10-11,13-14H2,1H3/t21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H24FN3O3
Molecular Weight 421.465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:58:30 UTC 2021
Edited
by admin
on Sat Jun 26 00:58:30 UTC 2021
Record UNII
59XC9G796Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-071
Common Name English
4-FLUORO-2-((3S, 4S)-4-HYDROXYTETRAHYDRO-2H-PYRAN-3-YL)-5-METHYL-6-(4(1H-PYRAZOL-1-YL)BENZYL)-2, 3-DIHYDRO-1H-ISOINDOL-1-ONE
Systematic Name English
L-THREO-PENTITOL, 1,5-ANHYDRO-2,4-DIDEOXY-2-(4-FLUORO-1,3-DIHYDRO-5-METHYL-1-OXO-6-((4-(1H-PYRAZOL-1-YL)PHENYL)METHYL)-2H-ISOINDOL-2-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
59XC9G796Y
Created by admin on Sat Jun 26 00:58:30 UTC 2021 , Edited by admin on Sat Jun 26 00:58:30 UTC 2021
PRIMARY
CAS
1820812-16-5
Created by admin on Sat Jun 26 00:58:30 UTC 2021 , Edited by admin on Sat Jun 26 00:58:30 UTC 2021
PRIMARY
PUBCHEM
92042879
Created by admin on Sat Jun 26 00:58:30 UTC 2021 , Edited by admin on Sat Jun 26 00:58:30 UTC 2021
PRIMARY
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