chempirical

Limaprost

C22H36O5CAS 74397-12-9380.53 g/mol

Open in Covalent MOL file
HOOHOOHO
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C22H36O5
Molar mass
380.53 g/mol
Exact mass
380.2563 Da
logP
3.89Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
13
Stereocentres
S, S, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
74397-12-9
SMILES
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O
InChIKey
OJZYRQPMEIEQFC-UAWLTFRCSA-N
InChI
InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 2-Heptenoic acid, 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl]-, (2E)-
  • Prosta-2,13-dien-1-oic acid, 11,15-dihydroxy-17,20-dimethyl-9-oxo-, (2E,11α,13E,15S,17S)-
  • 2-Heptenoic acid, 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-5-oxocyclopentyl]-, (2E)-
  • (2E)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl]-2-heptenoic acid
  • ONO 1206
  • OP 1206
  • 17S,20-Dimethyl-trans-δ2-PGE1

Work with Limaprost

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 E1745-65-353 % similar Prostaglandin E2363-24-651 % similar trans-2-Octenoic acid1871-67-643 % similar trans-2-Decenoic acid334-49-642 % similar 2-Nonenoic acid3760-11-042 % similar Misoprostol59122-46-242 % similar Prostaglandin F2551-11-139 % similar Dinoprost tromethamine38562-01-536 % similar

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

Elsewhere

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