CIMETIDINE HYDROXYMETHYL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H16N6OS
Molecular Weight	268.339
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(NCCSCC1=C(CO)NC=N1)=NC#N

InChI

InChIKey=JSTWNRREBFKXNZ-UHFFFAOYSA-N

InChI=1S/C10H16N6OS/c1-12-10(14-6-11)13-2-3-18-5-9-8(4-17)15-7-16-9/h7,17H,2-5H2,1H3,(H,15,16)(H2,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C10H16N6OS
Molecular Weight	268.339
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:37:56 GMT 2023` Edited by `admin` on `Fri Dec 15 19:37:56 GMT 2023`
Record UNII	1I301OP4HL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMETIDINE HYDROXYMETHYL

Common Name

English

(N-METHYL-N'-CYANO-N''-(2-((5-HYDROXYMETHYLIMIDAZOL-4-YL)METHYLTHIO)ETHYL)GUANIDINE

Systematic Name

English

N-CYANO-N'-(2-(((4-(HYDROXYMETHYL)-1H-IMIDAZOL-5-YL)METHYL)THIO)ETHYL)-N''-METHYLGUANIDINE

Systematic Name

English

GUANIDINE, N-CYANO-N'-(2-(((4-(HYDROXYMETHYL)-1H-IMIDAZOL-5-YL)METHYL)THIO)ETHYL)-N''-METHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80208103

Created by admin on Fri Dec 15 19:37:56 GMT 2023 , Edited by admin on Fri Dec 15 19:37:56 GMT 2023

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PUBCHEM

162879

Created by admin on Fri Dec 15 19:37:56 GMT 2023 , Edited by admin on Fri Dec 15 19:37:56 GMT 2023

PRIMARY

CAS

59359-50-1

Created by admin on Fri Dec 15 19:37:56 GMT 2023 , Edited by admin on Fri Dec 15 19:37:56 GMT 2023

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FDA UNII

1I301OP4HL

Created by admin on Fri Dec 15 19:37:56 GMT 2023 , Edited by admin on Fri Dec 15 19:37:56 GMT 2023

PRIMARY

Related Record Type Details


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CIMETIDINE

PARENT -> METABOLITE

Amount: