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Prostaglandin E2 p-acetamidophenyl ester

CAT: 0804-HY-165083-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-165083-01Size:1 mg
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Description
Prostaglandin E2 p-acetamidophenyl ester is a biochemical reagent.
CAS Number
57790-52-0
Product Name Alternative
PGE2 p-Acetamidophenyl ester
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/prostaglandin-e2-p-acetamidophenyl-ester.html
Smiles
CC(NC(C=C1)=CC=C1OC(CCC/C=C\C[C@@H]2[C@H]([C@@H](CC2=O)O)/C=C/[C@@H](O)CCCCC)=O)=O
Molecular Formula
C28H39NO6
Molecular Weight
485.61
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

9-OXO-11alpha,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, (4-ACETYLAMINO) PHENYL ESTER
CAS Number57790-52-0
PubChem CID23424546
IUPAC Name(4-acetamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Molecular FormulaC28H39NO6
Molecular Weight485.6
XLogP3.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count35
Formal Charge0
Complexity725
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC2=CC=C(C=C2)NC(=O)C)O)O
InChI
InChI=1S/C28H39NO6/c1-3-4-7-10-22(31)15-18-25-24(26(32)19-27(25)33)11-8-5-6-9-12-28(34)35-23-16-13-21(14-17-23)29-20(2)30/h5,8,13-18,22,24-25,27,31,33H,3-4,6-7,9-12,19H2,1-2H3,(H,29,30)/b8-5-,18-15+/t22-,24+,25+,27+/m0/s1
InChIKey
CNFZDRIMILJQQC-WLGUUIINSA-N
Chemical Structure
2D Structure
2D structure of 9-OXO-11alpha,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, (4-ACETYLAMINO) PHENYL ESTER
CAS: 57790-52-0
CID: 23424546
Formula: C28H39NO6
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass485.27773796
Monoisotopic Mass485.27773796
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity725
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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Alternative Products

CatalogName
sc-205451AProstaglandin E2 p-acetamidophenyl ester
sc-205452Prostaglandin E2 p-benzamidophenyl ester
sc-20505316,16-dimethyl Prostaglandin E2 p- (p-acetamidobenzamido) phenyl ester
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sc-2209204-Acetamidophenyl β-D-Glucuronic Acid Methyl Ester
292436-014-Acetamidophenyl b-D-glucuronide methyl ester
A0200-704-Acetamidophenyl b-D-Glucuronic Acid, Methyl Ester
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