Basic information
- CAS
93515-00-5- Standard SMILES
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1- InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N- Molecular formula
- C13H15IN2O2
- Average molar mass
- 358.17 g/mol
- Monoisotopic mass
- 358.01782572
Overview
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.
Names & identifiers
- Preferred name
- 2-Iodomelatonin
- IUPAC
- N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
- English name
- 2-Iodomelatonin
- Molecular formula
- C13H15IN2O2
- Molecular weight
- 358.17
Names & synonyms
2-Iodomelatonin93515-00-52-iodo-melatoninn-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamideN-(2-(2-Iodo-5-methoxy-1H-indol-3-yl)ethyl)acetamideDTXSID302394622Q5TZ5754AAcetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-, (3beta)-N-(2-(2-iodo-5-methoxy-IH-indol-3-yl)ethyl)acetamideAcetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-acetamide, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-RefChem:824686
Show more names
Melatonin Impurity 12Melatonin 2-Iodo Impurity2-Iodomelatonin, 10 mM in DMSO2Iodomelatonin,2 IodomelatoninMELATONIN, 2-IODO-DERIVATIVE OF MELATONN-[2-(2-IODO-5-METHOXYINDOL-3-YL)ETHYL]ACETAMIDEN-Acetyl-2-iodo-5-methoxy-1H-indole-3-(ethanamine)
DTXCID50161953IODOMELATONINTocris-0737Lopac-I-1899N-Acetyl-2-iodo-5-methoxytryptamineCHEMBL289233GTPL1343MFCD00055216
Database identifiers
- CAS
93515-00-5- PubChem CID
- 115348
- DTXSID
DTXSID30239462- ChEMBL
CHEMBL289233- ChEBI
CHEBI:109558- UNII
- 2Q5TZ5754A
- Nikkaji
- J423.408A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.52
Physicochemical properties
- Boiling point
- 574.5 · 574.5±50.0 °C(Predicted)
- Density
- 1.63 · 1.630±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- form
- Powder
- pka
- 15.45 · 15.45±0.30(Predicted)
- color
- Off-white to yellow
- FDA UNII
- 2 Q5TZ5754A · 2Q5TZ5754A
- WGK Germany
- 3 · 3
- RTECS
- 4376000 · AC4376000
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- AC4376000
Chemistry & industry
Applications
Uses2-Iodomelatonin is a potent agonist of the melatonin receptors (MEL-1).
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
DefinitionChEBI: N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.
Related reactions
1 records
Compound notes
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