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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12F6N4O
Molecular Weight 390.2831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-DESAMINO-3,4-DEHYDROSITAGLIPTIN

SMILES

FC1=CC(F)=C(\C=C\CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)C=C1F

InChI

InChIKey=BLDAVCZELRQXFP-OWOJBTEDSA-N
InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1-2,6-7H,3-5,8H2/b2-1+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-DESAMINO-3,4-DEHYDROSITAGLIPTIN
Common Name English
3-BUTEN-1-ONE, 1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, (3E)-
Common Name English
Code System Code Type Description
CAS
1803026-58-5
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
PUBCHEM
125366354
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
FDA UNII
YK8KXP4U2W
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
NIH
NCATS
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