4-((5aR,6S,7S,8R,8aS)-7-((Dimethylamino)methyl)-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-6,7,8,8a-tetrahydro-5aH-cyclopenta[4,5]furo[3,2-c]pyridin-5a-yl)benzonitrile, 95%

cas: 2098191-53-6 — see every product listed under this CAS number, including other names

4-((5aR,6S,7S,8R,8aS)-7-((Dimethylamino)methyl)-8,8a-dihydroxy-1,3-dimethoxy-6-phenyl-6,7,8,8a-tetrahydro-5aH-cyclopenta[4,5]furo[3,2-c]pyridin-5a-yl)benzonitrile, 95% (CAS 2098191-53-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Chemat.

• 2D
• 3D

4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile (CAS 2098191-53-6) is a chemical compound with the molecular formula C28H29N3O5 and a molecular weight of 487.5 g/mol. IUPAC name: 4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile. InChIKey: QYCXWOACFWMQFO-WZWZCULESA-N.

Identity

Molecular formula	C28H29N3O5
Molecular weight	487.5 g/mol
IUPAC name	4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile
InChIKey	QYCXWOACFWMQFO-WZWZCULESA-N
SMILES	CN(C)C[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: Zotatifin, Zotatifina, Zotatifine, zotatifinum, eFT 226, rel-Zotatifin, Zotatifin [INN], Zotatifin [USAN], Zotafin, Zotatifin (USAN/INN)

Related forms of this compound

4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-6-yl]benzonitrile C₂₈H₂₉N₃O₅

Isomers (same molecular formula)

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate C₂₈H₂₉N₃O₅

(2S,3S)-2-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide C₂₈H₂₉N₃O₅