5-(1-Hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyril
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Basic information
- CAS
77405-41-5- Standard SMILES
CCC(NC(C)C)C(O)c1cc(O)cc2[nH]c(=O)ccc12.Cl- InChIKey
JHLIBIJQWPLLFZ-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O3
- Average molar mass
- 326.82 g/mol
- Monoisotopic mass
- 326.1397203
Overview
terbutaline-type derivative of bronchodilator procaterol; structure in first source
Names & identifiers
- Preferred name
- 5-(1-Hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyril
- IUPAC
- 7-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride
- English name
- 5-(1-hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyril
- Molecular weight
- 0
Names & synonyms
Hipa-bhcs5-(1-Hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyril77405-41-52(1H)-Quinolinone, 7-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, monohydrochlorideRefChem:101543Erythro-5-(1-hydroxy-2-(isopropylamino)butyl)-7-hydroxycarbostyrilDTXSID209986177-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride5-{1-Hydroxy-2-[(propan-2-yl)amino]butyl}quinoline-2,7-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
77405-41-5- PubChem CID
- 5492525
- DTXSID
DTXSID20998617
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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