MLG

N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE

Created:	2003-10-08
Last modified:	2020-06-05

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3 entries where MLG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
Synonyms	N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE
Systematic Name (OpenEye OEToolkits)	N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine
Formula	C₁₃ H₁₅ Cl₂ N O
Molecular Weight	272.17
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(Cl)ccc1OCCCN(CC#C)C
SMILES	CACTVS	3.341	CN(CCCOc1ccc(Cl)cc1Cl)CC#C
SMILES	OpenEye OEToolkits	1.5.0	CN(CCCOc1ccc(cc1Cl)Cl)CC#C
Canonical SMILES	CACTVS	3.341	CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
InChI	InChI	1.03	InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
InChIKey	InChI	1.03	BTFHLQRNAMSNLC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04017
Name	Clorgiline
Groups	experimental
Description	An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.
Synonyms	Clorgilina Clorgyline Clorgiline Clorgilinum Clorgiline hydrochloride
Categories	Agents that produce hypertension Amines Antidepressive Agents Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Monoamine Oxidase A Inhibitors Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Monoamine Oxidase Inhibitors Propylamines Psychotropic Drugs Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
CAS number	17780-72-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Amine oxidase [flavin-containing] A	MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGG...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682