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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18FNO3S
Molecular Weight 275.34
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESDOPETAM

SMILES

CCCNCCOC1=CC(=CC(F)=C1)S(C)(=O)=O

InChI

InChIKey=OSBPYFBXSLJHCR-UHFFFAOYSA-N
InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18FNO3S
Molecular Weight 275.34
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 Thu Jul 06 20:19:35 UTC 2023
Edited
by admin
on Thu Jul 06 20:19:35 UTC 2023
Record UNII
HD4QV8GX26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESDOPETAM
INN  
Official Name English
IRL-790
Preferred Name English
IRL790
Code English
Mesdopetam [WHO-DD]
Common Name English
mesdopetam [INN]
Common Name English
1-PROPANAMINE, N-(2-(3-FLUORO-5-(METHYLSULFONYL)PHENOXY)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1403894-72-3
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
SMS_ID
300000010825
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
PUBCHEM
70980485
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
NCI_THESAURUS
C175816
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
FDA UNII
HD4QV8GX26
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
INN
11066
Created by admin on Thu Jul 06 20:19:35 UTC 2023 , Edited by admin on Thu Jul 06 20:19:35 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
Related Record Type Details
ACTIVE MOIETY