Basic information
- CAS
35553-62-9- Standard SMILES
CC(=O)Oc1ccc(C(O)CNC(C)C)cc1OC(C)=O- InChIKey
JJOJKUASQDHISA-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 3-O,4-O-Diacetylisoproterenol
- IUPAC
- [2-acetyloxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] acetate
- English name
- 3-O,4-O-diacetylisoproterenol
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
Diacetylisoproterenol3-O,4-O-Diacetylisoproterenol35553-62-9RefChem:95082CHEMBL62032SCHEMBL11277673DTXSID009569374-{1-Hydroxy-2-[(propan-2-yl)amino]ethyl}-1,2-phenylene diacetate1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, 1,2-diacetate1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, 1,2-diacetate
Database identifiers
- CAS
35553-62-9- PubChem CID
- 169705
- DTXSID
DTXSID00956937- ChEMBL
CHEMBL62032
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…