METHYLENE BLUE CATION

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N3S
Molecular Weight	284.399
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of METHYLENE BLUE CATION

Structure Search

SMILES

CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1

InChI

InChIKey=RBTBFTRPCNLSDE-UHFFFAOYSA-N

InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula	C16H18N3S
Molecular Weight	284.399
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:15:39 UTC 2023` Edited by `admin` on `Fri Dec 15 21:15:39 UTC 2023`
Record UNII	ZMZ79891ZH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYLENE BLUE CATION

Common Name

English

METHYLTHIONINIUM

Systematic Name

English

Methylthioninium [WHO-DD]

Common Name

English

PHENOTHIAZIN-5-IUM, 3,7-BIS(DIMETHYLAMINO)-

Systematic Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/10/807

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

WHO-ATC

V04CG05

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

NDF-RT

N0000192516

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

WHO-ATC

V03AB17

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

Code System Code Type Description

DAILYMED

ZMZ79891ZH

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

CHEBI

43830

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

FDA UNII

ZMZ79891ZH

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

PUBCHEM

4139

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

CAS

7060-82-4

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

SMS_ID

100000085977

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

DRUG BANK

DB08167

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

EPA CompTox

DTXSID3047009

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

RXCUI

1546414

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB03262MIG

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

NDF-RT

N0000175545

Created by admin on Fri Dec 15 21:15:39 UTC 2023 , Edited by admin on Fri Dec 15 21:15:39 UTC 2023

PRIMARY

Oxidation-Reduction Activity [MoA]

Related Record Type Details


					8NAP7826UB

METHYLENE BLUE ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					T42P99266K

SALT/SOLVATE -> PARENT

Amount:


					O3YJW1TB3C

METHYLENE BLUE MONOHYDRATE

SALT/SOLVATE -> PARENT


					91O4LML611

TARGET -> SUBSTRATE

Comments:

Converts Ferric ion to Ferrous Ion in Methemoglobin

Amount:


					3EAZ4M2MHL

METHYLENE BLUE HYDROXIDE

SALT/SOLVATE -> PARENT

Amount:


					TJ8EMU6QT3

METHYLENE BLUE PENTAHYDRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					IHU4GYZ2R3

HYDROMETHYLTHIONINE

METABOLITE -> PARENT

Comments:

Maybe non-enzymatic reversible. Predominant metabolite in urine.

Qualification:

URINE

Amount:

Related Record Type Details


					ZMZ79891ZH

METHYLENE BLUE CATION

ACTIVE MOIETY

Amount: