Cyclobarbital calcium

Details

Stereochemistry	RACEMIC
Molecular Formula	2C12H15N2O3.Ca
Molecular Weight	510.596
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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

Molecular Formula	C12H16N2O3
Molecular Weight	236.267
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://books.google.ru/books?id=szDnBwAAQBAJ&printsec=frontcover&hl=ru#v=onepage&q&f=false | https://www.sdrugs.com/?c=drug&s=reladorm

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

Title	Date	PubMed
Molecularly imprinted polymers for simultaneous determination of antiepileptics in river water samples by liquid chromatography-tandem mass spectrometry.	2009-06-19	19439306
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007-01	17003167
Comparison of the percutaneous absorption of hydrophilic and lipophilic compounds in shed snake skin and human skin.	2006-04	16649549
Quantitative determination of vigabatrin and gabapentin in human serum by gas chromatography-mass spectrometry.	2005-04	15748611
Fluorescent imprinted polymers prepared with 2-acrylamidoquinoline as a signaling monomer.	2005-02-03	15673239
Key structural features of ligands for activation of human pregnane X receptor.	2004-04	15039302
Multiple hydrogen bonding-based fluorescent imprinted polymers for cyclobarbital prepared with 2,6-bis(acrylamido)pyridine.	2003-11-21	14651107
Multimodal inclusion complexes between barbiturates and 2-hydroxypropyl-beta-cyclodextrin in aqueous solution: isothermal titration microcalorimetry, (13)C NMR spectrometry, and molecular dynamics simulation.	2001-08	11536223
Induction of CYP1A2 by phenobarbital in the livers of aryl hydrocarbon-responsive and -nonresponsive mice.	1999-03	10064569

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:11:40 GMT 2025` Edited by `admin` on `Mon Mar 31 18:11:40 GMT 2025`
Record UNII	0HZN7FV25R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyclobarbital calcium

Common Name

English

CYCLOBARBITAL CALCIUM SALT

Preferred 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

Barbituric acid, 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

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756