Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: C09AA04
UNII: Y5GMK36KGY

Structure

InChI Key IPVQLZZIHOAWMC-QXKUPLGCSA-N
Smile CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
InChI
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N2O5
Molecular Weight 368.47
AlogP 1.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Marfan Syndrome 3 D008382 ClinicalTrials
Cardiomyopathy, Dilated 3 D002311 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Aortic Aneurysm, Abdominal 2 D017544 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Stress Disorders, Post-Traumatic 1 D013313 ClinicalTrials

Related Entries

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 82834-16-0
ChEBI 8024
ChEMBL CHEMBL1581
DrugBank DB00790
DrugCentral 2108
EPA CompTox DTXSID6023440
FDA SRS Y5GMK36KGY
Human Metabolome Database HMDB14928
Guide to Pharmacology 6367
KEGG C07706
PharmGKB PA450877
PubChem 40466996
SureChEMBL SCHEMBL16205
ZINC ZINC000003812867