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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N4O.C2HF3O2
Molecular Weight 294.2304
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CDD-0102 TRIFLUOROACETATE

SMILES

OC(=O)C(F)(F)F.CCC1=NOC(=N1)C2CNC=NC2

InChI

InChIKey=DGWZWAJULKDIKA-UHFFFAOYSA-N
InChI=1S/C8H12N4O.C2HF3O2/c1-2-7-11-8(13-12-7)6-3-9-5-10-4-6;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3,(H,9,10);(H,6,7)

HIDE SMILES / InChI

Molecular Formula C2HF3O2
Molecular Weight 114.0233
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H12N4O
Molecular Weight 180.2071
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:31:14 GMT 2023
Edited
by admin
on Sat Dec 16 02:31:14 GMT 2023
Record UNII
KU4UTQ0410
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CDD-0102 TRIFLUOROACETATE
Common Name English
CDD-0102
Common Name English
PYRIMIDINE, 5-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)-1,4,5,6-TETRAHYDRO-, 2,2,2-TRIFLUOROACETATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
146422-59-5
Created by admin on Sat Dec 16 02:31:14 GMT 2023 , Edited by admin on Sat Dec 16 02:31:14 GMT 2023
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FDA UNII
KU4UTQ0410
Created by admin on Sat Dec 16 02:31:14 GMT 2023 , Edited by admin on Sat Dec 16 02:31:14 GMT 2023
PRIMARY
PUBCHEM
44274500
Created by admin on Sat Dec 16 02:31:14 GMT 2023 , Edited by admin on Sat Dec 16 02:31:14 GMT 2023
PRIMARY