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Chemical structure of SR 142948A

GC75061

SR 142948A

Also known as 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid;hydrochloride

SR 142948A is a non-peptide neuropeptide neuropeptin (NT) receptor antagonist

ChemicalCAS184162-21-8MW722.31FormulaC39H52ClN5O6
CAS number
184162-21-8
Molecular weight
722.31
Formula
C39H52ClN5O6
Solubility
H2O： 10 mg/mL (13·84 mM; Need ultrasonic and warming)
InChIKey
CUYNEHGBVHUQQW-UHFFFAOYSA-N
Catalogue number
GC75061
Brand
GLPBIO
Computed properties PubChem CID 9940110 · TPSA 126 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
126 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
51

SMILES CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC.Cl

Computed descriptors from PubChem (CID 9940110), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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