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(±)-Cloprostenol sodium salt

CAT: 0607-B7004-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B7004-25Size:25 mg
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Description
prostaglandin F2α (PGF2α) analog,FP receptor agonist
CAS Number
55028-72-3
Product Name Alternative
sodium (E)-7-((1R,2R,3S,5R)-2-((R,Z)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
Field of Research
GPCR G protein Prostanoid Receptors
Form
A crystalline solid
Solubility
Soluble in H2O
Smiles
ClC1=CC(OC[C@@H](/C=C\[C@@H]([C@H]2O)[C@@H](C/C=C/CCCC([O-])=O)[C@@H](C2)O)O)=CC=C1.[Na+]
Molecular Formula
C22H28ClNaO6
Molecular Weight
446.9
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Cloprostenol Sodium

See also: Travoprost (related); Bimatoprost (related); Cloprostenol (has active moiety) ... View More ...

CAS Number55028-72-3
PubChem CID17756794
IUPAC Namesodium (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
Molecular FormulaC22H28ClNaO6
Molecular Weight446.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity558
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)[O-])O.[Na+]
InChI
InChI=1S/C22H29ClO6.Na/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);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
InChIKey
IFEJLMHZNQJGQU-KXXGZHCCSA-M
Chemical Structure
2D Structure
2D structure of Cloprostenol Sodium
CAS: 55028-72-3
CID: 17756794
Formula: C22H28ClNaO6
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass446.1472106
Monoisotopic Mass446.1472106
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
255012(±) -Cloprostenol sodium salt
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sc-205260A(+) -Cloprostenol (sodium salt)
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