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

Details

Stereochemistry MIXED
Molecular Formula 2C12H15N2O3.Ca
Molecular Weight 510.596
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOBARBITAL CALCIUM

SMILES

[Ca++].CCC1(C(=O)NC(=O)[N-]C1=O)C2=CCCCC2.CCC3(C(=O)NC(=O)[N-]C3=O)C4=CCCCC4

InChI

InChIKey=LQOCSNZFBLPUID-UHFFFAOYSA-L
InChI=1S/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2

HIDE SMILES / InChI
Cyclobarbital (5-cyclohexenyl-5-ethyl-barbituric acid) is a short-acting barbiturate exerting sedative-hypnotic properties. Cyclobarbital is metabolized to inactive ketocyclobarbital. The convention on psychotropic substances, which was signed in Vienna in 1971, today regulates cyclobarbital as a schedule III barbiturate. Cyclobarbital is used in combination with diazepam tranquilizer (Reladorm).

Approval Year

PubMed

PubMed

TitleDatePubMed
Multiple hydrogen bonding-based fluorescent imprinted polymers for cyclobarbital prepared with 2,6-bis(acrylamido)pyridine.
2003 Nov 21
Comparison of the percutaneous absorption of hydrophilic and lipophilic compounds in shed snake skin and human skin.
2006 Apr
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007 Jan
Molecularly imprinted polymers for simultaneous determination of antiepileptics in river water samples by liquid chromatography-tandem mass spectrometry.
2009 Jun 19
Name Type Language
CYCLOBARBITAL CALCIUM
MART.   WHO-DD  
Common Name English
CYCLOBARBITAL CALCIUM [MART.]
Common Name English
PHANODORN CALCIUM
Brand Name English
Cyclobarbital calcium [WHO-DD]
Common Name English
CYCLOBARBITAL CALCIUM SALT
MI  
Common Name English
CYCLOBARBITAL CALCIUM SALT [MI]
Common Name English
5-(1-CYCLOHEXEN-1-YL)-5-ETHYL-, CALCIUM SALT (2:1)
Systematic Name English
Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-, calcium salt (8CI)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
Code System Code Type Description
MERCK INDEX
m3974
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY Merck Index
CAS
143-76-0
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID70974466
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
CAS
6700-48-7
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
SUPERSEDED
EVMPD
SUB01520MIG
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
PUBCHEM
13293232
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
SMS_ID
100000084652
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
ChEMBL
CHEMBL268164
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
CAS
5897-20-1
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
NON-SPECIFIC STOICHIOMETRY
NCI_THESAURUS
C76097
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-610-2
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-590-4
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
ALTERNATIVE
FDA UNII
0HZN7FV25R
Created by admin on Fri Dec 15 15:52:23 GMT 2023 , Edited by admin on Fri Dec 15 15:52:23 GMT 2023
PRIMARY