Basic information
- CAS
56341-08-3- Standard SMILES
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1- InChIKey
JSJCTEKTBOKRST-UHFFFAOYSA-N- Molecular formula
- C13H18ClF3N2O
- Average molar mass
- 310.74 g/mol
- Monoisotopic mass
- 310.1059754
Overview
Mabuterol is a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- Mabuterol
- IUPAC
- 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
- English name
- MABUTEROL
- Molecular formula
- C13H18ClF3N2O
- Molecular weight
- 310.74
Names & synonyms
Mabuterol56341-08-3MabuterolumR4K19W6S7QDTXSID30482834-Amino-alpha-((tert-butylamino)methyl)-3-chloro-5-(trifluoromethyl)benzyl alcoholRefChem:154920DTXCID40282581-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanolMabuterol [INN]1-(4-Amino-3-chloro-5-(trifluoromethyl)phenyl)-2-(tert-butylamino)ethanol56707-24-5
Show more names
MABUTEROL HCl 99%MABUTEROL USP/EP/BPMabuterol in MethanolMabuterol 1000 μg/mL in Acetonitrile4-AMino-α-[(tert-butylaMino)Methyl]-5-(trifluoroMethyl)benzene-Methanol1-[4-azanyl-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
AMBUTEROL4-amino-3-chloro-alpha-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)benzenemethanolPB 868ClMabuterolum [INN-Latin]1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethan-1-ol4-Amino-3-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)benzenemethanolMabuterol free baseCCRIS 5288
Database identifiers
- CAS
56341-08-3- PubChem CID
- 3995
- DTXSID
DTXSID3048283- ChEMBL
CHEMBL86749- ChEBI
CHEBI:135325- UNII
- R4K19W6S7Q
- Nikkaji
- J33.086H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
DrugsPharmaceuticals -> Respiratory system -> Nasal preparations
Collision Cross Section
168.4 Ų [M+H]+ [CCS Type: TW]
169.44 Ų [M+H]+
Physicochemical properties
- Melting point
- 85 · 85-87C
- Boiling point
- 375.9 · 375.9±37.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
- form
- A crystalline solid
- pka
- 13.37 · 13.37±0.20(Predicted)
- color
- White to off-white
- Stability
- Hygroscopic
- InChI
- InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3
- InChIKey
- JSJCTEKTBOKRST-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=C(N)C(=CC(C(O)CNC(C)(C)C)=C1)Cl
- FDA UNII
- 4 K19W6S7Q · R4K19W6S7Q
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- HS Code
- 29221990 · 29221990
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
- hs_code
- 29221990
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Applications
DescriptionMabuterol is an orally active β2-adrenergic agonist related to Clenbuterol.
UsesAs a β2-adrenergic agonist, Mabuterol can be used as a bronchodilator/antiasthmatic
Upstream & downstream products
Upstream raw materials
Suppliers36 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
济南药研药物化学有限公司[email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳市南港恒顺贸易有限公司15842340336 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: Mabuterol is a member of (trifluoromethyl)benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…