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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035633

N-Desmethylthalrugosidine

Formula: C37H40N2O7  |  Mol. Weight: 624.70 g/mol

IUPAC: (3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaen-15-ol

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Overview

Molecular Formula C37H40N2O7
Molecular Weight 624.70 g/mol
Canonical SMILES CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)O)OC)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy