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Prostaglandin E2 isopropyl ester

CAT: 0804-HY-157002-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-157002-01Size:1 mg
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Description
Prostaglandin E2 isopropyl ester (PGE2 isopropyl ester) is the precursor of PGE2.
CAS Number
71845-66-4
Product Name Alternative
PGE2 isopropyl ester
UNSPSC
12352211
Hazard Statement
H225-H319-H336-H360
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/prostaglandin-e2-isopropyl-ester.html
Solubility
10 mM in DMSO
Smiles
CC(C)OC(CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@@H](O)CCCCC)=O
Molecular Formula
C23H38O5
Molecular Weight
394.54
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P370+P378-P403+P233-P403+P235-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Prostaglandin E2 isopropyl ester
CAS Number71845-66-4
PubChem CID71684700
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Molecular FormulaC23H38O5
Molecular Weight394.5
XLogP3.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O
InChI
InChI=1S/C23H38O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-20,22,24,26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,22+/m0/s1
InChIKey
NOHLKSJQMSPOTB-FZNVCOGTSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin E2 isopropyl ester
CAS: 71845-66-4
CID: 71684700
Formula: C23H38O5
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass394.27192431
Monoisotopic Mass394.27192431
Topological Polar Surface Area83.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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T37936-0116-phenoxy tetranor Prostaglandin F2α isopropyl ester
MBS579870916-phenoxy tetranor Prostaglandin F2alpha isopropyl ester
GTR19263793-0117-Phenoxy trinor prostaglandin F2α isopropyl ester
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