1,1'-METHYLENEBIS(4-((HYDROXYIMINO)METHYL)-PYRIDINIUM) DIMETHANESULFONATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H14N4O2.2CH3O3S
Molecular Weight	448.471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0
Stereo Comments	MMB4 is a mixture of three geometric oxime isomers, the EE, the EZ, and the ZZ, with the latter two being present in small (< 5%) amounts.

SHOW SMILES / InChI

Structure of 1,1'-METHYLENEBIS(4-((HYDROXYIMINO)METHYL)-PYRIDINIUM) DIMETHANESULFONATE

Structure Search

SMILES

CS([O-])(=O)=O.CS([O-])(=O)=O.ON=CC1=CC=[N+](C[N+]2=CC=C(C=NO)C=C2)C=C1

InChI

InChIKey=LIBNJJLUCYWGII-UHFFFAOYSA-N

InChI=1S/C13H12N4O2.2CH4O3S/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19;2*1-5(2,3)4/h1-10H,11H2;2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C13H12N4O2
Molecular Weight	256.26
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 207 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20888357	Activator 1430

PubMed

Title	Date	PubMed
Reactivation of organophosphate-inhibited human, Cynomolgus monkey, swine and guinea pig acetylcholinesterase by MMB-4: a modified kinetic approach.	2010 Dec 15	20888357

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:28:32 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:32 GMT 2023`
Record UNII	XV8U2XT4H7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1'-METHYLENEBIS(4-((HYDROXYIMINO)METHYL)-PYRIDINIUM) DIMETHANESULFONATE

Common Name

English

MMB-4 DIMETHANESULFONATE

Common Name

English

MMB-4 DMS

Common Name

English

MMB4 DMS

Common Name

English

PYRIDINIUM, 1,1'-METHYLENEBIS(4-((HYDROXYIMINO)METHYL)-, METHANESULFONATE (1:2)

Systematic Name

English

MMB4 DIMETHANESULFONATE

Common Name

English

Code System Code Type Description

FDA UNII

XV8U2XT4H7

Created by admin on Fri Dec 15 15:28:32 GMT 2023 , Edited by admin on Fri Dec 15 15:28:32 GMT 2023

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PUBCHEM

135949116

Created by admin on Fri Dec 15 15:28:32 GMT 2023 , Edited by admin on Fri Dec 15 15:28:32 GMT 2023

PRIMARY

CAS

1187073-73-9

Created by admin on Fri Dec 15 15:28:32 GMT 2023 , Edited by admin on Fri Dec 15 15:28:32 GMT 2023

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