Basic information
- CAS
2964-04-7- Standard SMILES
CC(C)NC[C@@H](O)c1ccc(O)c(O)c1- InChIKey
JWZZKOKVBUJMES-LLVKDONJSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Overview
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol is a member of catechols.
Names & identifiers
- Preferred name
- (+)-Isoproterenol
- IUPAC
- 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
- English name
- d-N-Isopropylnorepinephrine
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
(+)-Isoproterenol2964-04-7RefChem:1048959(S)-4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol(S)-Isoprenaline(+)-Isoprenalined-N-Isopropylnorepinephrined-Isoprenalined-Isoproterenol(S)-(+)-Isoproterenol4-[(1s)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diolIsoproterenol, (+)-
Show more names
Isoprenaline Hydrochloride Impurity 174-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol
70D2X5QMKK(S)-Isoproterenold-IsopropylarterenolISOPROTERENOL, D-UNII-70D2X5QMKKSCHEMBL4166ISOPRENALINE, (S)-CHEMBL460574
Database identifiers
- CAS
2964-04-7- PubChem CID
- 5808
- DTXSID
DTXSID301364199- ChEMBL
CHEMBL460574- ChEBI
CHEBI:94595- UNII
- 70D2X5QMKK
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 417.5 · 417.5±40.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 9.6 · 9.60±0.10(Predicted)
- FDA UNII
- 70 D2X5QMKK · 70D2X5QMKK
Chemistry & industry
Suppliers2 total
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Additional notes
DefinitionChEBI: 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol is a member of catechols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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