U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H20N2O8S.C2HF3O2
Molecular Weight 562.47
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ME-3277 MONOTRIFLUOROACETATE

SMILES

OC(=O)C(F)(F)F.OC(=O)COC1=C(OCC(O)=O)C=C(C=C1)C(=O)CNC(=O)C2=CC3=C(CCNC3)S2

InChI

InChIKey=BPIGDCHNWBPDGC-UHFFFAOYSA-N
InChI=1S/C20H20N2O8S.C2HF3O2/c23-13(8-22-20(28)17-6-12-7-21-4-3-16(12)31-17)11-1-2-14(29-9-18(24)25)15(5-11)30-10-19(26)27;3-2(4,5)1(6)7/h1-2,5-6,21H,3-4,7-10H2,(H,22,28)(H,24,25)(H,26,27);(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 C20H20N2O8S
Molecular Weight 448.446
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 10:29:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:29:47 GMT 2023
Record UNII
VBJ8E87E9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ME-3277 MONOTRIFLUOROACETATE
Common Name English
ME 3277 MONOTRIFLUOROACETATE
Common Name English
ACETIC ACID, 2,2'-((4-((((4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YL)CARBONYL)AMINO)ACETYL)-1,2-PHENYLENE)BIS(OXY))BIS-, MONO(TRIFLUOROACETATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
67623674
Created by admin on Sat Dec 16 10:29:47 GMT 2023 , Edited by admin on Sat Dec 16 10:29:47 GMT 2023
PRIMARY
CAS
165948-73-2
Created by admin on Sat Dec 16 10:29:47 GMT 2023 , Edited by admin on Sat Dec 16 10:29:47 GMT 2023
PRIMARY
FDA UNII
VBJ8E87E9D
Created by admin on Sat Dec 16 10:29:47 GMT 2023 , Edited by admin on Sat Dec 16 10:29:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY