METHYLENE BLUE PENTAHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N3S.Cl.5H2O
Molecular Weight	409.929
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYLENE BLUE PENTAHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=MPJUMPKAHSMDLF-UHFFFAOYSA-M

InChI=1S/C16H18N3S.ClH.5H2O/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;5*1H2/q+1;;;;;;/p-1

HIDE SMILES / InChI

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:45:40 UTC 2023` Edited by `admin` on `Sat Dec 16 13:45:40 UTC 2023`
Record UNII	TJ8EMU6QT3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLENE BLUE PENTAHYDRATE

Common Name

English

METHYLENE BLUE HYDROCHLORIDE PENTAHYDRATE

Common Name

English

PHENOTHIAZIN-5-IUM, 3,7-BIS(DIMETHYLAMINO)-, CHLORIDE, HYDRATE (1:1:5)

Systematic Name

English

C.I. BASIC BLUE 9, PENTAHYDRATE

Common Name

English

BASIC BLUE 9 PENTAHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

TJ8EMU6QT3

Created by admin on Sat Dec 16 13:45:41 UTC 2023 , Edited by admin on Sat Dec 16 13:45:41 UTC 2023

PRIMARY

CAS

32680-41-4

Created by admin on Sat Dec 16 13:45:41 UTC 2023 , Edited by admin on Sat Dec 16 13:45:41 UTC 2023

PRIMARY

PUBCHEM

51001877

Created by admin on Sat Dec 16 13:45:41 UTC 2023 , Edited by admin on Sat Dec 16 13:45:41 UTC 2023

PRIMARY

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