METHITURAL

US Previously Marketed

First approved in 1956

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H20N2O2S2
Molecular Weight	288.429
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O

InChI

InChIKey=KEMCRVSPPRNENL-UHFFFAOYSA-N

InChI=1S/C12H20N2O2S2/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H20N2O2S2
Molecular Weight	288.429
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19598750 | https://pubchem.ncbi.nlm.nih.gov/compound/3032307

METHITURAL (as sodium salt) is a barbiturate derivative which was used as an ultrashort-acting intravenous anesthetic.

CNS Activity

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
skeletal muscle relaxation 7 Sources: https://link.springer.com/article/10.1007/BF03015276	Primary		Approved 8429	Neraval Approved Use Neraval is an ultra short-acting thiobarbiturate for intravenous administration. In doses of 10 cc. of a 5% solution it swiftly induces light anesthesia.

C_max

Value	Dose	Co-administered	Analyte	Population
35 mg/L EXPERIMENT https://www.karger.com/Article/PDF/134815	50 mg/kg bw single, intravenous dose: 50 mg/kg bw route of administration: Intravenous experiment type: SINGLE co-administered:		METHITURAL plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	CYP 270

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
CYP 270	substrate 3367 Sources: https://onlinelibrary.wiley.com/doi/10.1002/9780470921920.edm145	yes

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1MHTWF
Alfa Chemistry	467-43-6	https://www.alfa-chemistry.com/cas_467-43-6.htm
ChemMol	99087657	http://www.chemmol.com/chemmol/99087657.html
Chemieliva Pharmaceutical Co., Ltd	PBCM1311781
Compound Cloud	3032307
NovoSeek	3032307
THE BioTek	bt-409956	https://www.thebiotek.com/product/others/bt-409956
ZINC	ZINC000001530824	http://zinc15.docking.org/substances/ZINC000001530824
ZINC	ZINC000001530825	http://zinc15.docking.org/substances/ZINC000001530825

PubMed

Title	Date	PubMed
Methitural sodium (neraval sodium): a new ultrashort acting intravenous anesthetic.	1956 Sep-Oct	13355014
Neraval, Evipal, Pentothal, Surital: A Clinical Evaluation.	1958 Apr	19598750

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:55:26 GMT 2023` Edited by `admin` on `Sat Dec 16 17:55:26 GMT 2023`
Record UNII	DZQ457UJ3Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHITURAL

Official Name

English

5-(1-METHYLBUTYL)-5-(2-(METHYLTHIO)ETHYL)-2-THIOBARBITURIC ACID

Systematic Name

English

METHITURAL [MI]

Common Name

English

methitural [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67084