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Chemical structure of Pyrrole-derivative1

GC31537

Pyrrole-derivative1

Also known as 2-[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetic acid

Pyrrole-derivative1 is extracted from patent WO/2002/085851A1, example 2, developed for the treatment of diabetic disease

ChemicalCAS474006-30-9MW375.42FormulaC23H21NO4
CAS number
474006-30-9
Molecular weight
375.42
Formula
C23H21NO4
Solubility
Soluble in DMSO
InChIKey
CNBLGGYQBCKUKJ-ZZXKWVIFSA-N
Catalogue number
GC31537
Brand
GLPBIO
Computed properties PubChem CID 21101227 · XLogP 4.5 · TPSA 68.5 Ų · H-bond donors 1
XLogP
4.5
TPSA
68.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28

SMILES CC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=CC(=CC=C3)OCC(=O)O

Computed descriptors from PubChem (CID 21101227), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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