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Chemical structure of PF429242 dihydrochloride

GC36884

PF429242 dihydrochloride

Also known as 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;dihydrochloride

A site-1 protease inhibitor

ChemicalCAS2248666-66-0MW482.49FormulaC25H37Cl2N3O2
CAS number
2248666-66-0
Molecular weight
482.49
Formula
C25H37Cl2N3O2
Solubility
DMSO： ≥ 83·3 mg/mL (172·65 mM)
InChIKey
GSUZWFZKTIOWTI-MQWQBNKOSA-N
Catalogue number
GC36884
Brand
GLPBIO
Computed properties PubChem CID 90488837 · TPSA 44.8 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
44.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
32

SMILES CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)[C@@H]3CCNC3.Cl.Cl

Computed descriptors from PubChem (CID 90488837), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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