4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexan-1-ol--hydrogen chloride (1/1)
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Basic information
- CAS
1146648-86-3- Standard SMILES
Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1- InChIKey
QNVKOSLOVOTXKF-UHFFFAOYSA-N- Molecular formula
- C13H19Br2ClN2O
- Average molar mass
- 414.56 g/mol
- Monoisotopic mass
- 411.95527
Overview
Ambroxol hydrochloride is an aromatic amine.
Names & identifiers
- Preferred name
- 4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexan-1-ol--hydrogen chloride (1/1)
- IUPAC
- 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;hydrochloride
- English name
- AMBROXOL HYDROCHLORIDE
- Molecular formula
- C13H19Br2ClN2O
- Molecular weight
- 414.56
Names & synonyms
15942-05-9DTXSID609360984-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexan-1-ol--hydrogen chloride (1/1)4-{[(2-Amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol--hydrogen chloride (1/1)RefChem:1069610DTXCID901364711Ambroxol hydrochloride23828-92-4Ambroxol HCl1384955-66-1Mucoangin1146648-86-3
Show more names
2-AMINO-3,5-DIBROMO-N-[TRANS-4-HYDROXYCYCLOHEXYL]BENZYLAMINE HYDROCHLORIDETRANS-4-[[(2-AMINO-3,5-DIBROMOPHENYL)METHYL]AMINO]CYCLOHEXANOL MONOHYDROCHLORIDEAmboxolAmbroxol [INN]AMBROXOLHYDROCLORIDEAmbroxolum [INN-Latin]Bisolvon metabolite VIIIBromhexine-metabolite VIII
AmbroxolhydrochlorideMucosolvancis-Ambroxol Hydrochloridetrans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride4-((2-amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol hydrochlorideLasolvanPonophenAmbroxol impurity D hydrochloride
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Collision Cross Section171 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 8423000 · GV8423000
- Toxicity
- 50 · dog,LD50,intraperitoneal,125mg/kg (125mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- GV8423000
- Toxicity
- dog,LD50,intraperitoneal,125mg/kg (125mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
Chemistry & industry
Applications
UsesAMBROXOL HYDROCHLORIDE is used as cough medicine.
Additional notes
DefinitionChEBI: Ambroxol hydrochloride is an aromatic amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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