Basic information
- CAS
50-96-4- Standard SMILES
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl- InChIKey
MUFDLGGSOCHQOC-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Names & identifiers
- Preferred name
- Isoetarine hydrochloride
- IUPAC
- 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride
- English name
- Isoetharine Hydrochloride
- Molecular formula
- C13H22ClNO3
- Molecular weight
- 275.77
Names & synonyms
Isoetarine hydrochlorideIsoetharine hydrochloride [USP]Isoetharine (hydrochloride)4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol hydrochlorideNumotac hydrochlorideDilabron hydrochlorideIsoetharine hydrochloride (USP)Isoetarin hydrochlorideNeosuprel hydrochlorideNeoisuprel hydrochlorideBronkometer hydrochloride
Show more names
Isoctarine hydrochlorideIsoetharine hydrochlorideMUFDLGGSOCHQOC-UHFFFAOYSA-N(R,*)-()-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocate...
Etyprenaline hydrochlorideR,S-Isoetharine HCl1-(3,4-Dihydroxyphenyl)-2-isopropylamino-1-butanol hydrochlorideBETA-2 (TN)SCHEMBL211343orb1689522CHEMBL1200920SCHEMBL41945050
Database identifiers
- CAS
50-96-4- PubChem CID
- 5791
- DTXSID
DTXSID001018907- ChEMBL
CHEMBL1200920
Properties
Computed structural properties
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- CAS DataBase Reference
- 50 · 50-96-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 51 V8U784H3 · 51V8U784H3
Chemistry & industry
Applications
UsesIsoetharine Hydrochloride is hydrochloride salt of isoetharine which is β2-adrenergic receptor agonist. It can be used to give quick relief for bronchospasm and asthma. However, It may be potent in producing resistantce to β-adrenoceptor stimulants.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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