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Treprostinil

CAT: 0931-T5150-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T5150-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81846-19-7
Target
Prostaglandin Receptor
Related Pathways
GPCR/G Protein, Immunology/Inflammation
Purity
0.9971
Bioactivity
Treprostinil (Orenitram) is a potent DP1, IP and EP2 agonist (EC50: 0.6/1.9/6.2 nM) .
Smiles
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C[C@H]12)cccc3OCC(O)=O
Molecular Formula
C23H34O5
Molecular Weight
390.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Treprostinil

Treprostinil is a carboxylic acid and a carbotricyclic compound. It has a role as a cardiovascular drug, a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor, a vitamin K antagonist and a human blood serum metabolite.

CAS Number81846-19-7
PubChem CID6918140
IUPAC Name2-[[(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
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP4.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity495
SMILES
CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
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
InChIKey
PAJMKGZZBBTTOY-ZFORQUDYSA-N
Chemical Structure
2D Structure
2D structure of Treprostinil
CAS: 81846-19-7
CID: 6918140
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5695-50Treprostinil
CS-P-08380(-) -Treprostinil

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