METHYLENE BLUE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N3S.Cl.3H2O
Molecular Weight	373.898
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLENE BLUE

Structure Search

SMILES

O.O.O.[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1

InChI

InChIKey=XQAXGZLFSSPBMK-UHFFFAOYSA-M

InChI=1S/C16H18N3S.ClH.3H2O/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;1H;3*1H2/q+1;;;;/p-1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 15:03:25 UTC 2023` Edited by `admin` on `Fri Dec 15 15:03:25 UTC 2023`
Record UNII	T42P99266K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLENE BLUE

Common Name

English

NSC-759135

Code

English

METHYLENE BLUE [HPUS]

Common Name

English

METHYLENE BLUE TRIHYDRATE

Common Name

English

METHYLENE BLUE [ORANGE BOOK]

Common Name

English

METHYLENE BLUE [USP MONOGRAPH]

Common Name

English

TETRAMETHYLTHIONINE CHLORIDE TRIHYDRATE

Systematic Name

English

METHYLENE BLUE [VANDF]

Common Name

English

METHYLTHIONINIUM CHLORIDE TRIHYDRATE [WHO-IP]

Common Name

English

PROVAYBLUE

Brand Name

English

METHYLENE BLUE TRIHYDRATE [MI]

Common Name

English

BASIC BLUE 9 TRIHYDRATE

Common Name

English

METHYLTHIONINIUM CHLORIDE TRIHYDRATE

Systematic Name

English

METHYLENE BLUE [IARC]

Common Name

English

METHYLTHIONINII CHLORIDUM TRIHYDRATE [WHO-IP LATIN]

Common Name

English

C.I. BASIC BLUE 9 TRIHYDRATE

Common Name

English

METHYLENE BLUE [II]

Common Name

English

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

Systematic Name

English

METHYLENE BLUE [USP-RS]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

345711

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

EPA PESTICIDE CODE

39505

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

NCI_THESAURUS

C461

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

FDA ORPHAN DRUG

385512

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

FDA ORPHAN DRUG

357111

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

Code System Code Type Description

WIKIPEDIA

METHYLENE BLUE

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

PRIMARY

ChEMBL

CHEMBL191083

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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FDA UNII

T42P99266K

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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RXCUI

6878

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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RxNorm

CAS

122965-43-9

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

NON-SPECIFIC STOICHIOMETRY

MESH

D008751

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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EPA CompTox

DTXSID0025600

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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RS_ITEM_NUM

1428008

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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CHEBI

6872

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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DRUG BANK

DB09241

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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CAS

7220-79-3

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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NCI_THESAURUS

C644

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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EVMPD

SUB08877MIG

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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DAILYMED

T42P99266K

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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MERCK INDEX

m7402

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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Merck Index

NSC

759135

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

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WHO INTERNATIONAL PHARMACOPEIA

METHYLENE BLUE

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

PRIMARY

Other name: Methylene blue.Description: Dark green crystals with a metallic lustre or a dark green, crystalline powder; odourless or almost odourless. Solubility: Sparingly soluble in water; slightly soluble in ethanol (~750 g/l) TS; practically insoluble in ether R. Category: Antidote. Storage: Methylthioninium chloride should be kept in a tightly closed container, protected from light. Additional information: Methylthioninium chloride is hygroscopic. Definition: Methylthioninium chloride contains not less than 97.0% and not more than 101.0% of C16H18ClN3S, calculated with reference to the dried substance.

PUBCHEM

104827

Created by admin on Fri Dec 15 15:03:25 UTC 2023 , Edited by admin on Fri Dec 15 15:03:25 UTC 2023

PRIMARY

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