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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000256

(-)-Repandine

Formula: C37H40N2O6  |  Mol. Weight: 608.70 g/mol

IUPAC: (1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol

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Overview

Molecular Formula C37H40N2O6
Molecular Weight 608.70 g/mol
Canonical SMILES CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy