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Chemical structure of 16-phenoxy tetranor Prostaglandin A2

GC18785

16-phenoxy tetranor Prostaglandin A2

Also known as (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

16-phenoxy tetranor PGA2 is a minor metabolite found in human plasma after intravenous administration of sulprostone

ChemicalCAS51639-10-2MW370.4FormulaC22H26O5
CAS number
51639-10-2
Molecular weight
370.4
Formula
C22H26O5
Solubility
DMF: >100 mg/ml (from Fluprostenol),DMSO: >100 mg/ml (from Fluprostenol),Ethanol: >100 mg/ml (from Fluprostenol),PBS pH 7·2: >0·8 mg/ml (from 17–phenyl tri
InChIKey
CARGFWOXPNIAKB-AVZZWIIXSA-N
Catalogue number
GC18785
Brand
GLPBIO
Computed properties PubChem CID 12767333 · XLogP 2.9 · TPSA 83.8 Ų · H-bond donors 2
XLogP
2.9
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
27

SMILES C1=CC=C(C=C1)OC[C@@H](/C=C/[C@H]2C=CC(=O)[C@@H]2C/C=C\CCCC(=O)O)O

Computed descriptors from PubChem (CID 12767333), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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