Basic information
- CAS
2576-92-3- Standard SMILES
CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1.Cl- InChIKey
MUFDLGGSOCHQOC-HTKOBJQYSA-N- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Overview
See also: Isoetharine (has active moiety) ... View More ...
Names & identifiers
- Preferred name
- Isoetharine Hydrochloride
- IUPAC
- 4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride
- English name
- ISOETHARINE HYDROCHLORIDE (250 MG)
- Molecular formula
- C13H21NO3.ClH
- Molecular weight
- 275.77
Names & synonyms
BronkosolAsthmalitanBETA-2dl-Isoetharine hydrochlorideIsoetharine hydrochloride S/FIsoetharine HclEINECS 219-927-9NUMOTACUNII-51V8U784H351V8U784H33,4-Dihydroxy-alpha-(1-(isopropylamino)propyl)benzyl alcohol hydrochloride(R,*)-(1)-4-(1-Hydroxy-2-((1-methylethyl)amino)butyl)pyrocatechol hydrochloride
Show more names
R*,S*-Isoetharine HydrochlorideISOETHARINE HYDROCHLORIDE (250 MG)Isoetharine Hydrochloride (1348500)1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, hydrochloride
ISOETHARINE HYDROCHLORIDE (USP-RS)ISOETHARINE HYDROCHLORIDE [USP-RS]ISOETHARINE HYDROCHLORIDE (USP IMPURITY)ISOETHARINE HYDROCHLORIDE [USP IMPURITY]3,4-Dihydroxy-alpha-[1-(isopropylamino)propyl]benzyl alcohol hydrochlorideRefChem:5541150-96-4Isoetharine Hydrochloride
Database identifiers
- CAS
2576-92-3
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
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 212 · 212-213° (dec)
- FDA UNII
- 51 V8U784H3 · 51V8U784H3
- HS Code
- 2922504500 · 2922504500
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
- 2922504500
Chemistry & industry
Applications
UsesBronchodilator.
UsesR*,S*-Isoetharine Hydrochloride is an isomeric salt of Isoetharine which is β2-adrenergic receptor agonist. It can be used to give quick relief for bronchospasm and asthma.
Suppliers5 total
国药集团化学试剂有限公司86-21-63210123 · [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]
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]
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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