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Details

Stereochemistry ACHIRAL
Molecular Formula C23H19F5N6O2
Molecular Weight 506.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUP-532

SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC=C3)C4=NN=NN4)C(O)=O)C(F)(F)C(F)(F)F

InChI

InChIKey=RQGDXPDTZWGCQI-UHFFFAOYSA-N
InChI=1S/C23H19F5N6O2/c1-2-5-17-29-19(22(24,25)23(26,27)28)18(21(35)36)34(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20-30-32-33-31-20/h3-4,6-11H,2,5,12H2,1H3,(H,35,36)(H,30,31,32,33)

HIDE SMILES / InChI

Molecular Formula C23H19F5N6O2
Molecular Weight 506.428
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 15:38:59 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:59 GMT 2023
Record UNII
4BIT7V7BEO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DUP-532
Common Name English
L-694492
Code English
L-694,492
Code English
4-(1,1,2,2,2-PENTAFLUOROETHYL)-2-PROPYL-1-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Systematic Name English
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)-2-PROPYL-1-((2'-(1H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-
Systematic Name English
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 4-(1,1,2,2,2-PENTAFLUOROETHYL)-2-PROPYL-1-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-
Systematic Name English
2-PROPYL-4-PENTAFLUOROETHYL-1-((2-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)IMIDAZOLE-5-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00154476
Created by admin on Sat Dec 16 15:38:59 GMT 2023 , Edited by admin on Sat Dec 16 15:38:59 GMT 2023
PRIMARY
FDA UNII
4BIT7V7BEO
Created by admin on Sat Dec 16 15:38:59 GMT 2023 , Edited by admin on Sat Dec 16 15:38:59 GMT 2023
PRIMARY
PUBCHEM
60770
Created by admin on Sat Dec 16 15:38:59 GMT 2023 , Edited by admin on Sat Dec 16 15:38:59 GMT 2023
PRIMARY
CAS
124750-95-4
Created by admin on Sat Dec 16 15:38:59 GMT 2023 , Edited by admin on Sat Dec 16 15:38:59 GMT 2023
PRIMARY
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