Tretamine

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

Identification

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Name
Tretamine
Accession Number
DB14031
Type
Small Molecule
Groups
Experimental
Description

Toxic alkylating agent used in industry; also as antineoplastic and research tool to produce chromosome aberrations and cancers.

Structure
Thumb
Synonyms
  • 2,4,6-tri(1-aziridinyl)-1,3,5-triazine
  • 2,4,6-tris(1-aziridinyl)-1,3,5-triazine
  • 2,4,6-tris(1-aziridinyl)-s-triazine
  • 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
  • TEM
  • Tretamina
  • Tretaminum
  • Triaethylenmelamin
  • Triethylenemelamine
  • Trisaziridinyltriazine
External IDs
DRP 859025 / M 9500 / M-9500 / R 246 / R-246 / SK 1133
Categories
UNII
F7IY6HZG9D
CAS number
51-18-3
Weight
Average: 204.237
Monoisotopic: 204.11234441
Chemical Formula
C9H12N6
InChI Key
IUCJMVBFZDHPDX-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2
IUPAC Name
tris(aziridin-1-yl)-1,3,5-triazine
SMILES
C1CN1C1=NC(=NC(=N1)N1CC1)N1CC1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AclidiniumThe therapeutic efficacy of Aclidinium can be decreased when used in combination with Tretamine.
AgmatineThe therapeutic efficacy of Agmatine can be decreased when used in combination with Tretamine.
AlcuroniumThe therapeutic efficacy of Alcuronium can be decreased when used in combination with Tretamine.
AmitriptylineThe therapeutic efficacy of Amitriptyline can be decreased when used in combination with Tretamine.
AmobarbitalThe therapeutic efficacy of Amobarbital can be decreased when used in combination with Tretamine.
AmoxapineThe therapeutic efficacy of Amoxapine can be decreased when used in combination with Tretamine.
Anisotropine methylbromideThe therapeutic efficacy of Anisotropine methylbromide can be decreased when used in combination with Tretamine.
AprobarbitalThe therapeutic efficacy of Aprobarbital can be decreased when used in combination with Tretamine.
AripiprazoleThe therapeutic efficacy of Aripiprazole can be decreased when used in combination with Tretamine.
AtracuriumThe therapeutic efficacy of Atracurium can be decreased when used in combination with Tretamine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Evidence Level

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C07642
ChemSpider
5594
ChEBI
27919
ChEMBL
CHEMBL502384
Wikipedia
Triethylenemelamine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility10.1 mg/mLALOGPS
logP1.08ALOGPS
logP1.7ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)8.48ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area47.7 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity59.74 m3·mol-1ChemAxon
Polarizability20.89 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
General Function
Identical protein binding
Specific Function
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Gene Name
BCHE
Uniprot ID
P06276
Uniprot Name
Cholinesterase
Molecular Weight
68417.575 Da
References
  1. Griffin J. and D'Arcy P. (1997). A manual of adverse drug interactions (5th ed.). Elsevier. [ISBN:0-444-82406-5]

Drug created on May 16, 2018 09:26 / Updated on May 01, 2019 11:56