(11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid | CAS No. 745-65-3

(11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid

Basic Information

CAS Number

745-65-3

Molecular Formula

C20H34O5

Molecular Weight

354.49 g/mol

AD

Basic Physical Properties

Melting Point

115-116 ºC

Boiling Point

529.282°C at 760 mmHg

Density

1.0458 (rough estimate)

Flash Point

288 °C

Solubility

ethanol: 1 mg/mL

Refractive Index

1.6120 (estimate)

Specific Rotation

-64 º (c=1.0, C2H5OH)

CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

InChI

InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1

InChIKey

GMVPRGQOIOIIMI-DWKJAMRDSA-N

LogP

3.475100000000002

Topological Polar Surface Area

94.83 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

432

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • Prostaglandin E1
  • ALPROSTADIL
  • Prostaglandin E1 or AIPROSTADIL
  • Alprostadil (prostandin E1)
  • (11ALPHA,13E,15S)-11,15-DIHYDROXY-9-OXOPROST-13-ENOIC ACID
  • 7-((1R,2R,3R)-3-Hydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acid
  • PGE1
  • PGE1 (Prostaglandin E1)
  • Liple
  • l-pge1
  • Minprog
  • ONO 1608
  • Palux
  • PegE1
  • PGEl
  • Topiglan
  • 11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid
  • 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoic acid
  • 7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acid

MDL Number

MFCD00077860

Customs Code

29375000

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