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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026973

methyl (1S,3'S,12R,14S,15R,16S,19S)-12-[(2R,3E,5R,12bS)-3-ethylidene-9-hydroxy-2-(2-hydroxyethyl)-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-8-yl]-3',20-dimethylspiro[17-oxa-10,20-diazapentacyclo[14.3.1.03,11.04,9.014,19]icosa-3(11),4,6,8-tetraene-15,2'-oxirane]-19-carboxylate

Formula: C42H51N4O6+  |  Mol. Weight: 707.90 g/mol

IUPAC: methyl (1S,3'S,12R,14S,15R,16S,19S)-12-[(2R,3E,5R,12bS)-3-ethylidene-9-hydroxy-2-(2-hydroxyethyl)-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-8-yl]-3',20-dimethylspiro[17-oxa-10,20-diazapentacyclo[14.3.1.03,11.04,9.014,19]icosa-3(11),4,6,8-tetraene-15,2'-oxirane]-19-carboxylate

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Overview

Molecular Formula C42H51N4O6+
Molecular Weight 707.90 g/mol
Canonical SMILES CC=C1C[N+]2(CCC3=C(C2CC1CCO)NC4=C3C(=C(C=C4)O)C5CC6C7(COC(C68C(O8)C)N(C7CC9=C5NC1=CC=CC=C91)C)C(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy