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

Details

Stereochemistry RACEMIC
Molecular Formula C14H18N2O3
Molecular Weight 262.3043
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REPOSAL

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2

InChI

InChIKey=MKELYWOVSPVORM-UHFFFAOYSA-N
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)

HIDE SMILES / InChI

Molecular Formula C14H18N2O3
Molecular Weight 262.3043
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:01:14 GMT 2023
Edited
by admin
on Sat Dec 16 02:01:14 GMT 2023
Record UNII
3T5TIX1AYI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REPOSAL
MI  
Common Name English
5-BICYCLO(3.2.1)OCT-2-EN-3-YL-5-ETHYL-2,4,6(1H,3H,5H)- PYRIMIDINETRIONE
Systematic Name English
WT161
Common Name English
5-ETHYL-5-(BICYCLO(3.2.1)OCTENYL)BARBITURIC ACID
Systematic Name English
WT-161
Code English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-BICYCLO(3.2.1)OCT-2-EN- 3-YL-5-ETHYL-
Systematic Name English
Bicyclo-oct-en-yl-ethylbarbituric acid [WHO-DD]
Common Name English
REPOSAMAL
Common Name English
REPOSAL [MI]
Common Name English
BARBITURIC ACID, 5-BICYCLO(3.2.1)OCT-2-EN-3-YL-5-ETHYL-
Common Name English
5-BICYCLO(3,2,1)OCT-2-EN-2-YL-5-ETHYLBARBITURIC ACID
Systematic Name English
Classification Tree Code System Code
WHO-ATC N05CA12
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
WHO-VATC QN05CA12
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
Code System Code Type Description
PUBCHEM
19254
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
MERCK INDEX
m915
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID50877567
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
FDA UNII
3T5TIX1AYI
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
CAS
3625-25-0
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
EVMPD
SUB127689
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
DRUG BANK
DB13805
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
ChEMBL
CHEMBL505851
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
SMS_ID
100000153543
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
DRUG CENTRAL
3824
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
WIKIPEDIA
REPOSAL
Created by admin on Sat Dec 16 02:01:14 GMT 2023 , Edited by admin on Sat Dec 16 02:01:14 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY