Zinterol
Basic information
- CAS
37000-20-7- Standard SMILES
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1- InChIKey
XJBCFFLVLOPYBV-UHFFFAOYSA-N- Molecular formula
- C19H26N2O4S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.16132849
Overview
See also: Zinterol Hydrochloride (active moiety of).
Names & identifiers
- Preferred name
- Zinterol
- IUPAC
- N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide
- English name
- N-(2-Hydroxy-5-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)phenyl)methane
- Molecular formula
- C19H26N2O4S
- Molecular weight
- 378.49
Names & synonyms
ZINTEROL37000-20-7Zinterolum7167N7AJJR2'-Hydroxy-5'-(l-hydroxy-2-(2-methyl-1-phenyl-2-propylamino)ethyl)methanesulfonanilideRefChem:196111Zinterol [INN]N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamideN-(2-HYDROXY-5-(1-HYDROXY-2-(2-METHYL-1-PHENYLPROPAN-2-YLAMINO)ETHYL)PHENYL)METHANESULFONAMIDECHEMBL1243407Methanesulfonamide, N-(5-(2-((1,1-dimethyl-2-phenylethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-Zinterolum [INN-Latin]
Show more names
MJ 9184Zinterol hydrochloriN-{5-[2-(1,1-DiMethyl-2-phenyl-ethylaMino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-MethaesulfonaMideMethanesulfonamide, N-[5-[2-[(1,1-dimethyl-2-phenylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-N-[5-[2-[(1,1-Dimethyl-2-phenylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulphonamidehydrochloride
N-(2-Hydroxy-5-{1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl}phenyl)methanesulfonamideUNII-7167N7AJJRMJ-9184MLS006010671SCHEMBL119175GTPL3466orb1708177SCHEMBL30338438
Database identifiers
- CAS
37000-20-7- PubChem CID
- 37990
- DTXSID
DTXSID70865845- ChEMBL
CHEMBL1243407- UNII
- 7167N7AJJR
- EC Number
- 663-571-0
- Nikkaji
- J20.219C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 574.3 · 574.3±60.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 5 mM · Soluble to 5 mM in water and to 100 mM in DMSO
- form
- Powder
- pka
- 8.57 · 8.57±0.50(Predicted)
- color
- White to off-white
- FDA UNII
- 7167 N7AJJR · 7167N7AJJR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that selectively bind to and activate beta-adrenergic receptors.
Applications
UsesBronchodilator.
UsesZinterol is a β2-adrenergic agonist. It can be used to induce smooth muscle relaxation in the lungs, gastrointestinal tract, uterus, and various blood vessels.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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