chempirical

Prostaglandin E1

C20H34O5CAS 745-65-3354.49 g/mol

Open in Covalent MOL file
HOOHOOHO
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C20H34O5
Molar mass
354.49 g/mol
Exact mass
354.2406 Da
Melting point
115–116 °C
logP
3.48Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
13
Stereocentres
S, R, R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
745-65-3
SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
InChIKey
GMVPRGQOIOIIMI-DWKJAMRDSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

34 names · show all
  • Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-
  • Cyclopentaneheptanoic acid, 3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-, (-)-
  • Cyclopentaneheptanoic acid, 3α-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-
  • (11α,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid
  • PGE1
  • 11α,15(S)-Dihydroxy-9-oxo-13-trans-prostenoic acid
  • (-)-Prostaglandin E1
  • l-Prostaglandin E1
  • 11α,15α-Dihydroxy-9-oxo-13-trans-prostenoic acid
  • Alprostadil
  • U 10136
  • Prostandin
  • l-PGE1
  • Prostandin 500
  • Caverject
  • Alprox TD
  • Palux
  • ONO 1608
  • Lipoprost
  • Topiglan
  • SEPA-PGE1
  • SEPA-alprostadil
  • SEPA-prostaglandin E1
  • Minprog
  • Prostivas
  • Prostin VR pediatric
  • Liple
  • NSC 165559
  • Caveject
  • Vasaprostan
  • Liprostin
  • Eglandin
  • Lipo PGE1
  • Alprostan

Work with Prostaglandin E1

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Prostaglandin E2363-24-676 % similar Prostacyclin35121-78-955 % similar Limaprost74397-12-953 % similar (11α)-16,16-Difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid136790-76-652 % similar 12-Hydroxystearic acid36377-33-050 % similar Leukotriene B471160-24-249 % similar Dinoprost tromethamine38562-01-548 % similar Misoprostol59122-46-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Prostaglandin F2551-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook