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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F3N3O4.H2O
Molecular Weight 521.5287
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JTT-251 MONOHYDRATE

SMILES

O.CC(C)(O)CCOC1=CC2=C(C3=C(C=CC=C3)[C@]2(O)C(F)(F)F)C(=C1)C4=CN(N=C4)C(C)(C)C(N)=O

InChI

InChIKey=WTPZYIZNHQOCOQ-VQIWEWKSSA-N
InChI=1S/C26H28F3N3O4.H2O/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29;/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33);1H2/t25-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C26H28F3N3O4
Molecular Weight 503.5134
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:20:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:20:20 GMT 2023
Record UNII
0AQV15PQ6M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JTT-251 MONOHYDRATE
Code English
2-(4-((9R)-9-HYDROXY-2-(3-HYDROXY-3-METHYLBUTYLOXY)-9-(TRIFLUOROMETHYL)-9H-FLUOREN-4-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDE MONOHYDRATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 620017
Created by admin on Sat Dec 16 08:20:20 GMT 2023 , Edited by admin on Sat Dec 16 08:20:20 GMT 2023
Code System Code Type Description
PUBCHEM
78324948
Created by admin on Sat Dec 16 08:20:20 GMT 2023 , Edited by admin on Sat Dec 16 08:20:20 GMT 2023
PRIMARY
FDA UNII
0AQV15PQ6M
Created by admin on Sat Dec 16 08:20:20 GMT 2023 , Edited by admin on Sat Dec 16 08:20:20 GMT 2023
PRIMARY
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