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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N2S
Molecular Weight 232.345
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REZATOMIDINE

SMILES

C[C@H](C1=CNC(=S)N1)C2=CC=CC(C)=C2C

InChI

InChIKey=WQXVKEDUCPMRRI-JTQLQIEISA-N
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16N2S
Molecular Weight 232.345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Rezatomidine (AGN 203818) is an alpha adrenergic receptor agonist that was developed for the treatment of chronic pain conditions. Phase II studies have evaluated the safety and effectiveness of rezatomidine in treating the pain in patients with fibromyalgia, irritable bowel syndrome, interstitial cystitis, and diabetic neuropathy. However, three studies were terminated early based on a business decision. Pancreatitis, gastric ulcer, viral infections and dehydration were reported as serious adverse events in patients when administered a 60mg dose.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:25:33 GMT 2023
Edited
by admin
on Fri Dec 15 17:25:33 GMT 2023
Record UNII
W5LMZ0RC8I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REZATOMIDINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
REZATOMIDINE [USAN]
Common Name English
Rezatomidine [WHO-DD]
Common Name English
rezatomidine [INN]
Common Name English
AGN-203818
Code English
AGN203818
Code English
2H-IMIDAZOLE-2-THIONE, 4-((1S)-1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-
Systematic Name English
AGN-203818 FREE BASE
Code English
2H-IMIDAZOLE-2-THIONE, 4-(1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-
Systematic Name English
(+)-4-((1S)-1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
Systematic Name English
4-(1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
Systematic Name English
4-((1S)-1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-THIONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29713
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
Code System Code Type Description
DRUG BANK
DB12143
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
INN
9024
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
CAS
847829-38-3
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
PUBCHEM
11287722
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
NCI_THESAURUS
C152207
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
FDA UNII
W5LMZ0RC8I
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
USAN
SS-58
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107366
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
SMS_ID
100000175228
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID00233811
Created by admin on Fri Dec 15 17:25:33 GMT 2023 , Edited by admin on Fri Dec 15 17:25:33 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY