treprostinil

Ligand id: 5820

Name: treprostinil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 390.24
XLogP 4.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
2-[[(2R,3R,3aS,9aS)-2-hydroxy-3-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid
International Nonproprietary Names
INN number INN
8170 treprostinil
Synonyms
LRX-15 | Remodulin® | Tyvaso®
Database Links
CAS Registry No. 81846-19-7
ChEBI CHEBI:50861
ChEMBL Ligand CHEMBL1237119
DrugBank Ligand DB00374
GtoPdb PubChem SID 178102445
PubChem CID 6918140
Search Google for chemical match using the InChIKey PAJMKGZZBBTTOY-ZFORQUDYSA-N
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Search UniChem for chemical match using the InChIKey PAJMKGZZBBTTOY-ZFORQUDYSA-N
Search UniChem for chemicals with the same backbone PAJMKGZZBBTTOY
Wikipedia Treprostinil
Comments
Marketed formulations may contain treprostinil diolamine (PubChem CID 11179459) or treprostinil sodium (PubChem CID 23663413).