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Chemical structure of PD 102807

GC17876

PD 102807

Also known as ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate

M4 muscarinic receptor antagonist

ChemicalCAS23062-91-1MW392.45FormulaC23H24N2O4
CAS number
23062-91-1
Molecular weight
392.45
Formula
C23H24N2O4
Solubility
＜39·24mg/ml in DMSO
InChIKey
VDDUJINYXKGZLV-UHFFFAOYSA-N
Catalogue number
GC17876
Brand
GLPBIO
Computed properties PubChem CID 4995951 · XLogP 3.9 · TPSA 63.8 Ų · H-bond donors 1
XLogP
3.9
TPSA
63.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C

Computed descriptors from PubChem (CID 4995951), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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