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Beraprost

CAT: 0931-T30426-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30426-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88430-50-6
Target
Others, Prostaglandin Receptor
Related Pathways
Others, Immunology/Inflammation, GPCR/G Protein
Bioactivity
Beraprost is a stable prostacyclin analog.
Smiles
CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12
Molecular Formula
C24H30O5
Molecular Weight
398.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Beraprost

Beraprost is an organic heterotricyclic compound that is (3aS,8bS)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan in which the hydrogens at positions 1R, 2R and 5 are replaced by (3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl, hydroxy and 3-carboxypropyl groups, respectively. It is a prostaglandin receptor agonist which is approved to treat pulmonary arterial hypertension in Asia. It has a role as a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor, a prostaglandin receptor agonist and an anti-inflammatory agent. It is a secondary allylic alcohol, a monocarboxylic acid, an organic heterotricyclic compound, a secondary alcohol and an enyne. It is a conjugate acid of a beraprost(1-).

CAS Number88430-50-6
PubChem CID6917951
IUPAC Name4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
Molecular FormulaC24H30O5
Molecular Weight398.5
XLogP3.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)O)O)O
InChI
InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1
InChIKey
CTPOHARTNNSRSR-APJZLKAGSA-N
Chemical Structure
2D Structure
2D structure of Beraprost
CAS: 88430-50-6
CID: 6917951
Formula: C24H30O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass398.20932405
Monoisotopic Mass398.20932405
Topological Polar Surface Area87 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780057Beraprost
HY-13569A-01Beraprost (sodium)
WUA80711-01Beraprost sodium
TRC-B318002-25MGBeraprost-d3
HY-167091(Rac) -Beraprost
RM-B131632-01Beraprost Impurity A
262558-01Beraprost sodium salt
RM-B131860-01Beraprost Impurity 60
RM-B131845-01Beraprost Impurity 45
RM-B053213-01Beraprost Impurity 13

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