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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035233

(2S,3R,5S,11bS)-3-ethyl-5-hydroxy-2-[[(1R)-6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-9-ol;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

Formula: C32H37F6N3O8  |  Mol. Weight: 705.60 g/mol

IUPAC: (2S,3R,5S,11bS)-3-ethyl-5-hydroxy-2-[[(1R)-6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-9-ol;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

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Overview

Molecular Formula C32H37F6N3O8
Molecular Weight 705.60 g/mol
Canonical SMILES CCC1C[N+]2(CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)[O-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy