Basic information
- CAS
130759-56-7- Standard SMILES
Nc1c(Cl)cc(CC2=NCCN2)cc1Cl- InChIKey
FXNNRWAIGIEAST-UHFFFAOYSA-N- Molecular formula
- C10H11Cl2N3
- Average molar mass
- 244.12 g/mol
- Monoisotopic mass
- 243.0330028
Overview
Nemazoline is a small molecule drug. The usage of the INN stem '-azoline' in the name indicates that Nemazoline is a antihistaminic or local vasoconstrictor, antazoline derivative. Nemazoline has a monoisotopic molecular weight of 243.03 Da.
Names & identifiers
- Preferred name
- Nemazoline
- IUPAC
- 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
- English name
- Nemazoline
- Molecular formula
- C10H11Cl2N3
- Molecular weight
- 244.12
Names & synonyms
NEMAZOLINE130759-56-7Nemazoline [INN]UNII-QUV3YCP28RnemazolinaQUV3YCP28RSch-40054SCH 40054DTXSID101567292-(4-amino-3,5-dichlorobenzyl)-2-imidazolineBENZENAMINE, 2,6-DICHLORO-4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHYL)-nemazolinum
Show more names
2,6-Dichloro-4-[[(4,5-dihydro-1H-imidazol)-2-yl]methyl]benzenamineBenzenamine, 2,6-dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-
RefChem:165041DTXCID90792202,6-Dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline2,6-dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)methyl]anilineNemazoline Free BaseSCHEMBL953212orb1738468
Database identifiers
- CAS
130759-56-7- PubChem CID
- 60469
- DTXSID
DTXSID10156729- ChEMBL
CHEMBL2110957- UNII
- QUV3YCP28R
- EC Number
- 882-956-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 429.3 · 429.3±45.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 10.22 · 10.22±0.40(Predicted)
- FDA UNII
- 3 YCP28R · QUV3YCP28R
Chemistry & industry
Applications
UsesNasal decongestant.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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