Basic information
- CAS
1944-12-3- Standard SMILES
CC(Cc1ccc(O)cc1)[NH2+]CC(O)c1cc(O)cc(O)c1.[Br-]- InChIKey
SGZRQMALQBXAIQ-UHFFFAOYSA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Overview
See also: Fenoterol Hydrobromide (preferred); Fenoterol (has active moiety).
Names & identifiers
- Preferred name
- [2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium;bromide
- IUPAC
- [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide
- English name
- Fenoterol hydrobromide
- Molecular formula
- C17H21NO4.BrH
- Molecular weight
- 384.27
Names & synonyms
[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium;bromideFENOTEROL HBRAirumEmitexUgacorth1165aberotecSiobetecDosberotecpartusistenfenoterolbromide
Database identifiers
- CAS
1944-12-3- PubChem CID
- 16037
Properties
Computed structural properties
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 226 · 226-228°C
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in water and in ethanol (96 per cent).
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 45 Z99RB · RLI45Z99RB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- RIDADR
- 3249 · 3249
- WGK Germany
- 3 · 3
- RTECS
- 1500000 · DO1500000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
- DO1500000
- ridadr
- 3249
- hs_code
- 29225090
- Toxicity
- LD50 in mice (mg/kg): 1100 s.c.; 1990 orally (Goldenthal)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesAn β2-adrenergic agonist. Bronchodilator; tocolytic.
Upstream & downstream products
Upstream raw materials
Suppliers72 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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