Basic information
- CAS
136-70-9- Standard SMILES
CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1- InChIKey
LUMAEVHDZXIGEP-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Overview
Protokylol is a member of benzodioxoles.
Names & identifiers
- Preferred name
- Protokylol
- IUPAC
- 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
- English name
- protokylol
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.366
Names & synonyms
protokylol136-70-9ProtoquilolProtokylolum8Y5Y4EEO2Vprotochiloloalpha-(alpha-methyl-3,4-methylenedioxyphenethylamino)methyl protocatechuyl alcoholRefChem:870041205-255-3CaytineJB 2514-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
Show more names
Protokylol [ban]1-(3,4-Dihydroxyphenyl)-2-(1-(3,4-methylendioxyphenyl)-2-propylamino)ethanol1-(3,4-Dihydroxyphenyl)-2-(alpha-methyl-3,4-methylendioxyphenethylamino)ethanol1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-
Protokylolum [INN-Latin]Protoquilol [INN-Spanish]Protokylol [INN:BAN]EINECS 205-255-3UNII-8Y5Y4EEO2VAN 1031PalisanAsmeti
Database identifiers
- CAS
136-70-9- PubChem CID
- 4969
- DTXSID
DTXSID20861796
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 126 · 126-127 °C
- Boiling point
- 585 · 585.0±45.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.10(Predicted)
- FDA UNII
- 8 Y5Y4EEO2V · 8Y5Y4EEO2V
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesProtokylol (Caytine; JB-251) is a beta-adrenergic receptor agonist and TRPV1 agonist. Protokylol is used as a bronchodilator[1].
Suppliers4 total
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Protokylol is a member of benzodioxoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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