Structure

InChI Key KWGRBVOPPLSCSI-WPRPVWTQSA-N
Smile CN[C@@H](C)[C@H](O)c1ccccc1
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO
Molecular Weight 165.24
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Primary Target
β2-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase
- - - - 0
Enzyme
- - - - 0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pre-Eclampsia 3 D011225 ClinicalTrials
Hypotension 2 D007022 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Blood Coagulation Disorders 2 D001778 ClinicalTrials
Pain 1 D010146 ClinicalTrials

Related Entries

MCS

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 299-42-3
ChEBI 15407
ChEMBL CHEMBL211456
DrugBank DB01364
DrugCentral 1024
EPA CompTox DTXSID0022985
FDA SRS GN83C131XS
Human Metabolome Database HMDB0015451
Guide to Pharmacology 556
KEGG C01575
PharmGKB PA449466
PubChem 9294
SureChEMBL SCHEMBL4785
ZINC ZINC000000074836