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Details

Stereochemistry ACHIRAL
Molecular Formula C23H19F5N6O2.2H2O
Molecular Weight 542.4585
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUP-532 DIHYDRATE

SMILES

O.O.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=RRBSKULYGTVHIN-UHFFFAOYSA-N
InChI=1S/C23H19F5N6O2.2H2O/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);2*1H2

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

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 15:33:38 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:38 GMT 2023
Record UNII
M4VGE0A9MK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DUP-532 DIHYDRATE
Common Name English
L-694,492 DIHYDRATE
Code English
2-PROPYL-4-PENTAFLUOROETHYL-1-((2-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)IMIDAZOLE-5-CARBOXYLIC ACID DIHYDRATE
Systematic Name English
L-694492 DIHYDRATE
Code English
4-(PENTAFLUOROETHYL)-2-N-PROPYL-1-(2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YL)METHYL)IMIDAZOLE-5-CARBOXYLIC ACID DIHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
146019595
Created by admin on Sat Dec 16 15:33:38 GMT 2023 , Edited by admin on Sat Dec 16 15:33:38 GMT 2023
PRIMARY
FDA UNII
M4VGE0A9MK
Created by admin on Sat Dec 16 15:33:38 GMT 2023 , Edited by admin on Sat Dec 16 15:33:38 GMT 2023
PRIMARY
Related Record Type Details
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