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UNII:15K99VDU5F

Molecular FormulaC₂₄H₂₉NaO₅
Average mass Da
Monoisotopic mass Da
ChemSpider ID5293168

- Charge
- Double-bond stereo
- 5 of 6 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(±)-2,3,3a,8b-Tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta[b]benzofuran-5-butanoic Acid Monosodium Salt

1H-Benzo[b]cyclopenta[d]furan-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-, sodium salt, (1R,2R,3aS,8bS)- (1:1) [ACD/Index Name]

4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-méthyl-1-octén-6-yn-1-yl]-2,3,3a,8b-tétrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate de sodium [French] [ACD/IUPAC Name]

88475-69-8 [RN]

Beraprost Sodium

Beraprost sodium salt

Natrium-4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-in-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoat [German] [ACD/IUPAC Name]

Sodium (±)-(1R,2R,3aS,8bS)-2,3,3a,8b-tetrahydro-2-hydroxy-1-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta(b)benzofuran-5-butyrate

Sodium 4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate [ACD/IUPAC Name]

Sodium 4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate

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UNII:15K99VDU5F

[88475-69-8] [RN]

1290611-29-8 [RN]

2,3,3A-8B-TETRAHYDRO-2-HYDROXY-1-(3-HYDROXY-4-METHYL-1-OCTEN-6-YNYL)-1H-CYCLOPENTA[B]BENZOFURAN-5-BUTANOICACID,SODIUMSALT

4-[(1R,2R,3aS,8bS)-2-hydroxy-1-((E)-(S)-3-hydroxy-4-methyl-oct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl]-butyrate

496807-11-5 [RN]

88430-50-6 [RN]

Beraprost [USAN] [Wiki]

beraprost Na

Beraprost sodium (JAN/USAN) [JAN] [USAN]

dl-4-[(1R,2R,3aS,8bS)-2,3,3a,8b-Tetrahydro-2-hydroxy-[(3S,4RS)-3-hydroxy-4-methyl-oct-6-yne-(E)-1-enyl]-5-cyclopenta[b]benzofuranyl]butanoic acid sodium

Dorner

GP-1681

GY0780000

MFCD00911570 [MDL number]

Procylin [Trade name]

sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-((E)-(S)-3-hydroxy-4-methyl-oct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl]-butyrate

sodium 4-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butanoate

sodium 4-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-9-yl]butanoate

sodium 4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]butanoate

sodium and 4-[(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]butanoate

Toxic Solid, Organic, N.O.S. (Beraprost sodium)

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ML 1129 [DBID]

TRK 100 [DBID]

35E3NJJ4O6 [DBID]

D01551 [DBID]

MDL 201229 [DBID]

ML 1229 [DBID]

ML-1129 [DBID]

ML-1229 [DBID]

RU-55100 [DBID]

TRK-100 [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Experimental Physico-chemical Properties
- Experimental Solubility:
  
  Soluble to 25 mM in DMSO Tocris Bioscience 4180

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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UNII:15K99VDU5F

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