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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClF3NO2
Molecular Weight 387.824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SMW-139

SMILES

COC1=CC=C(Cl)C(=C1)C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3

InChI

InChIKey=DWSQAAMUNCFYTG-UHFFFAOYSA-N
InChI=1S/C19H21ClF3NO2/c1-26-12-2-3-14(20)13(4-12)15(25)24-11-16-5-17(21)8-18(22,6-16)10-19(23,7-16)9-17/h2-4H,5-11H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C19H21ClF3NO2
Molecular Weight 387.824
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 14:40:16 GMT 2023
Edited
by admin
on Sat Dec 16 14:40:16 GMT 2023
Record UNII
L22UF6D1CU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SMW-139
Code English
SMW139
Code English
2-CHLORO-5-METHOXY-N-(((3S,5S,7S)-3,5,7-TRIFLUOROADAMANTAN-1-YL)METHYL) BENZAMIDE
Systematic Name English
BENZAMIDE, 2-CHLORO-5-METHOXY-N-((3,5,7-TRIFLUOROTRICYCLO(3.3.1.13,7)DEC-1-YL)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
134687118
Created by admin on Sat Dec 16 14:40:16 GMT 2023 , Edited by admin on Sat Dec 16 14:40:16 GMT 2023
PRIMARY
FDA UNII
L22UF6D1CU
Created by admin on Sat Dec 16 14:40:16 GMT 2023 , Edited by admin on Sat Dec 16 14:40:16 GMT 2023
PRIMARY
CAS
2133010-38-3
Created by admin on Sat Dec 16 14:40:16 GMT 2023 , Edited by admin on Sat Dec 16 14:40:16 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
LABELED -> NON-LABELED