Synonyms:
Status: Approved (1954)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01CA09
UNII: 818U2PZ2EH

Structure

InChI Key WXFIGDLSSYIKKV-RCOVLWMOSA-N
Smile C[C@H](N)[C@H](O)c1cccc(O)c1
InChI
InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO2
Molecular Weight 167.21
AlogP 0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pre-Eclampsia 3 D011225 ClinicalTrials
Hypotension 2 D007022 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 54-49-9
ChEBI 6794
ChEMBL CHEMBL1201319
DrugBank DB00610
DrugCentral 1721
EPA CompTox DTXSID8023268
FDA SRS 818U2PZ2EH
Human Metabolome Database HMDB0014748
Guide to Pharmacology 7229
KEGG C07146
PharmGKB PA164748761
PubChem 5906
SureChEMBL SCHEMBL136778
ZINC ZINC000000001695