Basic information
- CAS
14030-77-4- Standard SMILES
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21- InChIKey
SFNKTTXBZXVGOH-UHFFFAOYSA-N- Molecular formula
- C21H27N3O
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.21541249
Overview
Metodesnitazene is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl and 4-methoxybenzyl groups at positions 1 and 2, respectively. It is a synthetic opioid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of benzimidazoles, a monomethoxybenzene and a tertiary amino compound.
Names & identifiers
- Preferred name
- Metodesnitazene
- IUPAC
- N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
- English name
- 1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[(4-methoxyphenyl)methyl]-
- Molecular formula
- C21H27N3O
- Molecular weight
- 337.46
Names & synonyms
Metodesnitazene14030-77-4TTR2RT8GBYDTXSID80161305N,N-DIETHYL-2-((4-METHOXYPHENYL)METHYL)-1H-BENZIMIDAZOLE-1-ETHANAMINE1H-BENZIMIDAZOLE-1-ETHANAMINE, N,N-DIETHYL-2-((4-METHOXYPHENYL)METHYL)-N,N-diethyl-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole-1-ethanamineRefChem:818768DTXCID1083796NSC659139BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(p-METHOXYBENZYL)-1-(2-Diethylaminoethyl)-2-(p-methoxybenzyl)benzimidazole
Show more names
1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[(4-methoxyphenyl)methyl]-
CHEBI:234370N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamineBRN 0765000N,N-diethyl-2-[2-(4-methoxybenzyl)-1H-benzimidazol-1-yl]ethanamineN,N-Diethyl-2-(2-(4-methoxybenzyl)-1H-benzimidazol-1-yl)ethanamineUNII-TTR2RT8GBYEpitope ID:22789455-23-12-00346 (Beilstein Handbook Reference)
Database identifiers
- CAS
14030-77-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Physicochemical properties
- Boiling point
- 511 · 511.0±40.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 10.02 · 10.02±0.25(Predicted)
- FDA UNII
- 2 RT8GBY · TTR2RT8GBY
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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