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Details

Stereochemistry RACEMIC
Molecular Formula C19H19F3N2O3S
Molecular Weight 412.426
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-MERCAPTO-4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANAMIDE

SMILES

COC1=CC=C(CC(S)C(N)=O)C=C1C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChIKey=KAOADJCJCZHOQW-UHFFFAOYSA-N
InChI=1S/C19H19F3N2O3S/c1-27-15-7-4-12(9-16(28)17(23)25)8-14(15)18(26)24-10-11-2-5-13(6-3-11)19(20,21)22/h2-8,16,28H,9-10H2,1H3,(H2,23,25)(H,24,26)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
.ALPHA.-MERCAPTO-4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANAMIDE
Systematic Name English
BENZENEPROPANAMIDE, .ALPHA.-MERCAPTO-4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)-
Systematic Name English
MK 767 METABOLITE M22
Common Name English
Code System Code Type Description
CAS
330861-63-7
Created by admin on Sat Dec 16 16:37:54 GMT 2023 , Edited by admin on Sat Dec 16 16:37:54 GMT 2023
PRIMARY
PUBCHEM
9953479
Created by admin on Sat Dec 16 16:37:54 GMT 2023 , Edited by admin on Sat Dec 16 16:37:54 GMT 2023
PRIMARY
FDA UNII
D6GST7N1JY
Created by admin on Sat Dec 16 16:37:54 GMT 2023 , Edited by admin on Sat Dec 16 16:37:54 GMT 2023
PRIMARY
NIH
NCATS
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