Cloprostenol sodium salt

C22H28ClNaO6CAS 55028-72-3446.90 g/mol

O−OHOOHHOOClNa+
AlcoholAlkeneAryl halideCarboxylic acidEther

Properties

Molecular formula
C22H28ClNaO6
Molar mass
446.90 g/mol
Exact mass
446.1472 Da
logP
2.81Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
11
Stereocentres
S, R, S, S, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Identifiers

CAS number
55028-72-3
SMILES
[O-]C(=O)CCCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@H](O)COc1cccc(Cl)c1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

10 names
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, sodium salt (1:1), (5Z)-rel-
  • 5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, monosodium salt, [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]-, monosodium salt, (5Z)-rel-
  • Estrumate
  • ICI 80996
  • 5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, monosodium salt, [1α(Z),2β(1E,3R*),3α,5α]-
  • Estrumat
  • Planate
  • Ciosin
  • Vetmate

Work with Cloprostenol sodium salt

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere