Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: C01CA17
UNII: 6YE7PBM15H

Structure

InChI Key PTKSEFOSCHHMPD-UHFFFAOYSA-N
Smile COc1ccc(OC)c(C(O)CNC(=O)CN)c1
InChI
InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O4
Molecular Weight 254.29
AlogP -0.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 93.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypotension 3 D007022 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Spinal Cord Injuries 3 D013119 ClinicalTrials
Ascites 3 D001201 ClinicalTrials
Ischemic Stroke 2 D000083242 ClinicalTrials
Hypotension, Orthostatic 2 D007024 ClinicalTrials
Hepatopulmonary Syndrome 1 D020065 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 42794-76-3
ChEBI 6933
ChEMBL CHEMBL1201212
DrugBank DB00211
DrugCentral 1803
EPA CompTox DTXSID0023321
FDA SRS 6YE7PBM15H
Human Metabolome Database HMDB0014356
Guide to Pharmacology 7240
KEGG C07890
PharmGKB PA164749381
PubChem 4195
SureChEMBL SCHEMBL131436