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Chemical structure of (Rac)-NMDAR antagonist 1

GC60413

(Rac)-NMDAR antagonist 1

Also known as 7-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide

(Rac)-NMDAR antagonist 1 is the racemate of NMDAR antagonist 1

ChemicalCAS2435557-99-4MW414.3FormulaC20H20BrN3O2
CAS number
2435557-99-4
Molecular weight
414.3
Formula
C20H20BrN3O2
Solubility
DMSO: 5 mg/mL (12·07 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
NCHFPVRYYJGAJY-UHFFFAOYSA-N
Catalogue number
GC60413
Brand
GLPBIO
Computed properties PubChem CID 137333444 · XLogP 2.7 · TPSA 64.9 Ų · H-bond donors 2
XLogP
2.7
TPSA
64.9 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

SMILES C1CC2=NC3=C(CN2C1C(=O)NCCC4=CC=C(C=C4)O)C=C(C=C3)Br

Computed descriptors from PubChem (CID 137333444), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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