CYCLOBARBITAL CALCIUM

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 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	Ca
Molecular Weight	40.078
Charge	2
Count

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

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

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
Induction of CYP1A2 by phenobarbital in the livers of aryl hydrocarbon-responsive and -nonresponsive mice.	1999 Mar	10064569
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 Aug	11536223
Multiple hydrogen bonding-based fluorescent imprinted polymers for cyclobarbital prepared with 2,6-bis(acrylamido)pyridine.	2003 Nov 21	14651107
Key structural features of ligands for activation of human pregnane X receptor.	2004 Apr	15039302
Quantitative determination of vigabatrin and gabapentin in human serum by gas chromatography-mass spectrometry.	2005 Apr	15748611
Fluorescent imprinted polymers prepared with 2-acrylamidoquinoline as a signaling monomer.	2005 Feb 3	15673239
Comparison of the percutaneous absorption of hydrophilic and lipophilic compounds in shed snake skin and human skin.	2006 Apr	16649549
In silico prediction of pregnane X receptor activators by machine learning approaches.	2007 Jan	17003167
Molecularly imprinted polymers for simultaneous determination of antiepileptics in river water samples by liquid chromatography-tandem mass spectrometry.	2009 Jun 19	19439306

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:23 GMT 2023` Edited by `admin` on `Fri Dec 15 15:52:23 GMT 2023`
Record UNII	0HZN7FV25R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOBARBITAL CALCIUM

Common Name

English

CYCLOBARBITAL CALCIUM [MART.]

Common Name

English

PHANODORN CALCIUM

Brand Name

English

Cyclobarbital calcium [WHO-DD]

Common Name

English

CYCLOBARBITAL CALCIUM SALT

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