NAV

Methylmethionine chloride

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Methylmethionine chloride
DrugBank Accession Number
DB13250
Background

Methylmethionine chloride may be useful in helping the healing of gastric ulcers. In Japan, it is used as an over the counter product for gastrointestinal health support. It is also called "Vitamin U", but it is not a true vitamin.

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 199.69
Monoisotopic: 199.0433776
Chemical Formula
C6H14ClNO2S
Synonyms
  • Methiosulfonium chloride
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
A02BX04 — Methiosulfonium chloride
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Methionine and derivatives
Alternative Parents
L-alpha-amino acids / Thia fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organosulfur compounds / Organopnictogen compounds / Organic oxides / Organic chloride salts / Monoalkylamines
show 2 more
Substituents
Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative / L-alpha-amino acid
show 14 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
organic molecular entity (CHEBI:6884)
Affected organisms
Not Available

Chemical Identifiers

UNII
G9CUR2204U
CAS number
1115-84-0
InChI Key
MYGVPKMVGSXPCQ-JEDNCBNOSA-N
InChI
InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
IUPAC Name
[(3S)-3-amino-3-carboxypropyl]dimethylsulfanium chloride
SMILES
[Cl-].C[S+](C)CC[C@H](N)C(O)=O

References

General References
Not Available
KEGG Compound
C04078
ChemSpider
16736395
ChEBI
6884
ChEMBL
CHEMBL1797128

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility9.2 mg/mLALOGPS
logP-1.4ALOGPS
logP-3.3Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)2.24Chemaxon
pKa (Strongest Basic)9.41Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity41.1 m3·mol-1Chemaxon
Polarizability17.52 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-128.85841
predicted
DeepCCS 1.0 (2019)
[M+H]+131.49936
predicted
DeepCCS 1.0 (2019)
[M+Na]+140.03334
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53