Neltenexine

Base Information

• Chemical Name: Neltenexine
• CAS No.: 99453-84-6
• Molecular Formula: C18H20Br2N2O2S
• Molecular Weight: 488.24
• UNII: U942DGM90X
• DSSTox Substance ID: DTXSID50905076,DTXSID00869336
• Nikkaji Number: J561.847I
• Wikipedia: Neltenexine
• Wikidata: Q6990833
• NCI Thesaurus Code: C90885
• ChEMBL ID: CHEMBL2106972
• Mol file: 99453-84-6.mol

Synonyms:(4-(2-tenoyl)amino-3,5-dibromophenylmethyl)aminocyclohexanol hydrochloride;neltenexine

Chemical Property of Neltenexine

Chemical Property:

• Vapor Pressure: 1.89E-11mmHg at 25°C
• Boiling Point: 515.5°C at 760 mmHg
• PKA: 10.72±0.70(Predicted)
• Flash Point: 265.5°C
• PSA: 89.60000
• Density: 1.69g/cm³
• LogP: 5.38240
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 487.95917
• Heavy Atom Count: 25
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

NELTENEXINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)NC(=O)C3=CC=CS3)O
• Description: Neltenexine is a mucolytic launched the first time in Italy for the treatment of cystic fibrosis. It is also effective for the treatment of acute and chronic bronchopulmonary diseases.

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