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Chemical structure of Prostaglandin E2 p-benzamidophenyl ester

GC44716

Prostaglandin E2 p-benzamidophenyl ester

Also known as (4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

PGE2 p-benzamidophenyl ester is a crystalline derivative of PGE2

ChemicalCAS57790-53-1MW547.7FormulaC33H41NO6
CAS number
57790-53-1
Molecular weight
547.7
Formula
C33H41NO6
Solubility
DMF： 65 mg/ml,DMSO： 28 mg/ml,Ethanol： 6 mg/ml,PBS pH 7·2： ＜125 μ g/ml
InChIKey
PDKOSADNQUKMKP-QFPSZITRSA-N
Catalogue number
GC44716
Brand
GLPBIO
Computed properties PubChem CID 90473691 · XLogP 5.5 · TPSA 113 Ų · H-bond donors 3
XLogP
5.5
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
40

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)C3=CC=CC=C3)O)O

Computed descriptors from PubChem (CID 90473691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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