General Information of the Compound
Compound ID
CP0548470
Compound Name
15-AU-81
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Synonyms
((1R,2R,3aS,9aS)-2-hydroxy-1-((3S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cylopent(b)naphthalen-5-yl)oxy)acetate
({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid
15 AU81
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
LRX 15
Remodulin (TN)
Treprostinil
Treprostinil (USAN/INN)
Treprostinil [USAN:INN]
Treprostinil sodium
Treprostinilo
Treprostinilum
U 62840
U-62,840
UT-15
Uniprost
Viveta
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Structure
Formula
C23H34O5
Molecular Weight
390.52
Canonical SMILES
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C[C@H]12)cccc3OCC(O)=O
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InChI
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
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InChIKey
PAJMKGZZBBTTOY-ZFORQUDYSA-N
CAS
81846-19-7
Physicochemical Property
logP
3.5832
Rotatable Bonds
10
Heavy Atom Count
28
Polar Areas
86.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6918140
SID: 14878554
ChEMBL ID
CHEMBL1237119
DrugBank ID
DB00374
Clinical Information about the Compound
Drug 1 ( Treprostinil )
Drug Name Treprostinil
Indication
Pulmonary arterial hypertension
Approved
Target(s)
Prostacyclin receptor (PTGIR)
 Target Info 
Agonist