Basic information
- CAS
54785-02-3- Standard SMILES
CC(=O)Nc1c(Br)cc(Br)cc1CN(C)C12CC3CC(CC(C3)C1)C2- InChIKey
HJJAXSOTUNRQSF-UHFFFAOYSA-N- Molecular formula
- C20H26Br2N2O
- Average molar mass
- 470.2 g/mol
- Monoisotopic mass
- 468.04119
Overview
Adamexine is an aromatic amide.
Names & identifiers
- Preferred name
- Adamexine
- IUPAC
- N-[2-[[1-adamantyl(methyl)amino]methyl]-4,6-dibromophenyl]acetamide
- English name
- adamexine
- Molecular formula
- C20H26Br2N2O
- Molecular weight
- 470.24
Names & synonyms
AdamexineAdamexine [INN]AdamexinumAdamexinum [INN-Latin]Adamexina [INN-Spanish]UNII-6LPU49W75V6LPU49W75VEINECS 259-347-3ADAMEXINE [MART.]DTXSID00203256Acetamide, N-(2,4-dibromo-6-((methyltricyclo(3.3.1.13,7)dec-1-ylamino)methyl)phenyl)-2-(N-(1-Adamantyl)-N-methylaminomethyl-4',6'-dibromacetanilid
Show more names
N-[2-[[1-adamantyl(methyl)amino]methyl]-4,6-dibromophenyl]acetamideN-[2-[[1-adamantyl(methyl)amino]methyl]-4,6-dibromo-phenyl]acetamideN-[2-[[1-adamantyl(methyl)amino]methyl]-4,6-dibromo-phenyl]ethanamide
Adamexinum (INN-Latin)Adamexina (INN-Spanish)ADAMEXINE (MART.)N-(2,4-Dibromo-6-((methyltricyclo(3.3.1.13,7)dec-1-ylamino)methyl)phenyl)acetamidealpha-(1-Adamantylmethylamino)-4',6'-dibromo-o-acetotoluidide.ALPHA.-(1-ADAMANTYLMETHYLAMINO)-4',6'-DIBROMO-O-ACETOTOLUIDIDEN-[2,4-Dibromo-6-[(methyltricyclo[3.3.1.13,7]dec-1-ylamino)methyl]phenyl]acetamideRefChem:109648
Database identifiers
- CAS
54785-02-3- PubChem CID
- 64387
- DTXSID
DTXSID00203256- ChEMBL
CHEMBL2105546- ChEBI
CHEBI:135761- UNII
- 6LPU49W75V
- EC Number
- 259-347-3
- Nikkaji
- J11.935K
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 544.934 · 544.934±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.561 · 1.561±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.185 · 13.185±0.70(predicted)
- FDA UNII
- 6 LPU49W75V · 6LPU49W75V
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Adamexine is an aromatic amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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