2-Iodomelatonin

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15IN2O2
Molecular Weight	358.1749
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Iodomelatonin

Structure Search

SMILES

COC1=CC2=C(NC(I)=C2CCNC(C)=O)C=C1

InChI

InChIKey=FJDDSMSDZHURBJ-UHFFFAOYSA-N

InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Melatonin receptor type 1A 3 Target ID: P48039 Gene ID: 4543.0 Gene Symbol: MTNR1A Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10696085	Agonist 2752		10.55 null [pKi]
Melatonin receptor type 1B 4 Target ID: P49286 Gene ID: 4544.0 Gene Symbol: MTNR1B Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10696085	Agonist 2752		9.87 null [pKi]

Name

Type

Language

2-Iodomelatonin

Common Name

English

Acetamide, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-

Preferred Name

English

N-(2-(2-IODO-5-METHOXY-1H-INDOL-3-YL)ETHYL)ACETAMIDE

Systematic Name

English

N-Acetyl-2-iodo-5-methoxytryptamine

Systematic Name

English

Code System Code Type Description

PUBCHEM

115348

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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WIKIPEDIA

2-Iodomelatonin

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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DRUG BANK

DB08190

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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CAS

93515-00-5

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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EPA CompTox

DTXSID30239462

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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FDA UNII

2Q5TZ5754A

Created by admin on Tue Apr 01 16:30:05 GMT 2025 , Edited by admin on Tue Apr 01 16:30:05 GMT 2025

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SUBSTANCE RECORD


					2Q5TZ5754A

2-Iodomelatonin