chempirical

Epoprostenol sodium

C20H31NaO5CAS 61849-14-7374.45 g/mol

Open in Covalent MOL file
HOHOOO−ONa+
AlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C20H31NaO5
Molar mass
374.45 g/mol
Exact mass
374.2069 Da
logP
3.03Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
10
Stereocentres
S, R, R, S, Rin SMILES atom order
Double bonds
E, ZE/Z, in SMILES order

Identifiers

CAS number
61849-14-7
SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=C\CCCC([O-])=O)/C[C@H]12.[Na+]
InChIKey
WHVPOEPABJZBBY-XQYLJSSYSA-N
InChI
InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1

Weigh it out

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

Names and synonyms

10 names
  • Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, sodium salt (1:1), (5Z,9α,11α,13E,15S)-
  • Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, monosodium salt, (5Z,9α,11α,13E,15S)-
  • Prostacyclin sodium salt
  • PGI2 sodium salt
  • Sodium PGI2
  • PGI2 sodium
  • Prostacyclin sodium
  • Sodium prostacyclin
  • Flolan
  • Veletri

Work with Epoprostenol sodium

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

Prostacyclin35121-78-975 % similar Prostaglandin F2551-11-147 % similar Cloprostenol sodium salt55028-72-344 % similar (3Ar,4R,5R,6as)-5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[B]furan-2-one40834-88-643 % similar Dinoprost tromethamine38562-01-541 % similar Sodium ricinoleate5323-95-541 % similar Prostaglandin E2363-24-640 % similar Prostaglandin E1745-65-339 % similar

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

Elsewhere

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