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Chemical structure of (Rac)-NNC 55-0396

GC71574

(Rac)-NNC 55-0396

Also known as [2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride

(Rac)-NNC 55-0396 is the racemate of NNC 55-0396

ChemicalCAS2517420-92-5MW564.56FormulaC30H40Cl2FN3O2
CAS number
2517420-92-5
Molecular weight
564.56
Formula
C30H40Cl2FN3O2
InChIKey
BCCQNBXHUMKLFW-UHFFFAOYSA-N
Catalogue number
GC71574
Brand
GLPBIO
Computed properties PubChem CID 22447553 · TPSA 58.2 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
58.2 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
38

SMILES CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl

Computed descriptors from PubChem (CID 22447553), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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