Clonitazene
Basic information
- CAS
3861-76-5- Standard SMILES
CCN(CC)CCn1c(Cc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21- InChIKey
GPZLDQAEBHTMPG-UHFFFAOYSA-N- Molecular formula
- C20H23ClN4O2
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.1509537
Overview
Clonitazene is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opiates substance.
Names & identifiers
- Preferred name
- Clonitazene
- IUPAC
- 2-[2-[(4-chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
- English name
- Clonitazene
- Molecular formula
- C20H23ClN4O2
- Molecular weight
- 386.88
Names & synonyms
CLONITAZENEClonitacenoClobedolum3861-76-5ClonitazenumClonitazinumClonitazene [INN:BAN:DCF]Acscn-9612Clonitazenum [INN-Latin]Clonitaceno [INN-Spanish]UNII-S90R21A2V2IDS-NC-002
Show more names
2-(2-(4-chlorobenzyl)-5-nitro-1H-benzo[d]imidazol-1-yl)-N,N-diethylethanamineClonitazene (exempt preparation)Clonitazene (1 mg/ml in Acetonitrile)Clonitazene (1.0mg/ml in Acetonitrile)2-[2-(4-chlorobenzyl)-5-nitro-benzimidazol-1-yl]ethyl-diethyl-amine2-(4-Chlorobenzyl)-1-(2-diethylaminoethyl)-5-nitro-1H-benzimidazole2-[2-[(4-chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine1H-Benzimidazole-1-ethanamine, 2-[(4-chlorophenyl)methyl]-N,N-diethyl-5-nitro-2-[2-[(4-chlorophenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine
S90R21A2V2CLONITAZENE [MI]CLONITAZENE [INN]C-1939012-(p-Chlorobenzyl)-1-(2-diethylaminoethyl)-5-nitrobenzimidazoleDTXSID90191931C 193901Clonitazene (INN)
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 75 · 75-76°
- Boiling point
- 563.7 · 563.7±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml; Methanol: 1 mg/ml
- form
- A crystalline solid
- pka
- 9.88 · 9.88±0.25(Predicted)
- FDA UNII
- 90 R21A2V2 · S90R21A2V2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- DEA Controlled Substances
- 9612 CSA · CSCN: 9612CSA SCH: Schedule INARC: Yes
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
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- DEA Controlled Substances
- CSCN: 9612CSA SCH: Schedule INARC: Yes
Chemistry & industry
Applications
UsesClonitazene is an opioid analgesic of approximately three times the potency of morphine. It is used in opioid agonist/antagonist combinations for treatment of opioid receptor mediated diseases such as depression and pain.
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Related reactions
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Compound notes
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