Structure

InChI Key NDAUXUAQIAJITI-LBPRGKRZSA-N
Smile CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
InChI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21NO3
Molecular Weight 239.31
AlogP 1.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 34391-04-3
ChEBI 8746
ChEMBL CHEMBL1002
DrugBank DB13139
DrugCentral 1575
EPA CompTox DTXSID80187964
FDA SRS EDN2NBH5SS
Guide to Pharmacology 9816
KEGG C11770
PDB 68H
SureChEMBL SCHEMBL4003
ZINC ZINC000000007601