Cloprostenol sodium salt
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
55028-72-3SMILES
[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
Isopropyl cloprostenate157283-66-472 % similar
Travoprost157283-68-658 % similar
(3aR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one53906-54-055 % similar
17-Phenyl trinor pgf2alpha-ipr130209-76-645 % similar
Tafluprost acid209860-88-845 % similar
Epoprostenol sodium61849-14-744 % similar
(15R)-Bimatoprost1163135-92-944 % similar
Prostaglandin F2551-11-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.