chempirical

Cloprostenol

C22H29ClO6CAS 40665-92-7424.92 g/mol

Open in Covalent MOL file
OOHHOOClHOOH
AlcoholAlkeneAryl halideCarboxylic acidEther

Properties

Molecular formula
C22H29ClO6
Molar mass
424.92 g/mol
Exact mass
424.1653 Da
logP
3.19Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
11
Stereocentres
S, S, S, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
40665-92-7
SMILES
O=C(O)CCC/C=CC[C@H]1[C@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O
InChIKey
VJGGHXVGBSZVMZ-UXOZKJFPNA-N
InChI
InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/s2

Weigh it out

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

Names and synonyms

20 names · show all
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)-rel-
  • 5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, [1α(Z),2β(1E,3R*),3α,5α]-(±)-
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, (5Z)-rel-
  • Rel-(5Z)-7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
  • 5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, [1α(Z),2β(1E,3R*),3α,5α]-
  • Oestrophan
  • Estrophane
  • Estrofan
  • Oestrophane
  • Estrophan
  • Racemic cloprostenol
  • (±)-Cloprostenol
  • DL-Cloprostenol
  • Clostenol
  • Cyclix
  • Juramate
  • Estroplan
  • Estromil
  • Ovuprost
  • Estrofantin

Work with Cloprostenol

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

Cloprostenol sodium salt55028-72-377 % similar Travoprost157283-68-661 % similar Prostaglandin F2551-11-158 % similar Dinoprost tromethamine38562-01-553 % similar Carboprost35700-23-349 % similar 17-Phenyl trinor pgf2alpha-ipr130209-76-648 % similar (15R)-Bimatoprost1163135-92-946 % similar Latanoprost acid41639-83-245 % similar

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

Same formula

D-Cloprostenol54276-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook