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Chemical structure of Saredutant

GC31143

Saredutant

Also listed as Saredutant (SR 48968)

Saredutant (SR 48968) is a selective (Neurokinin 2) NK2 receptor antagonist with an IC50 value of 0·13nM

ChemicalCAS142001-63-6MW552.53FormulaC31H35Cl2N3O2
CAS number
142001-63-6
Molecular weight
552.53
Formula
C31H35Cl2N3O2
Solubility
DMSO: 250 mg/mL (452·46 mM)
InChIKey
PGKXDIMONUAMFR-AREMUKBSSA-N
Catalogue number
GC31143
Brand
GLPBIO
Computed properties PubChem CID 104974 · XLogP 5.9 · TPSA 52.7 Ų · H-bond donors 1
XLogP
5.9
TPSA
52.7 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
38

SMILES CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Computed descriptors from PubChem (CID 104974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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