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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008732

(1S,4S,5R,8S,13S,14R,16S,18S)-11-[2-[[(1S,5R,9R,13R,14R,15R,16R)-7-ethyl-14-hydroxy-5-methyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadec-11-en-12-yl]methoxy]ethyl]-5-methyl-17-methylidene-9-oxa-11-azahexacyclo[14.2.2.01,14.04,13.05,10.08,13]icosan-18-ol

Formula: C44H64N2O4  |  Mol. Weight: 685.00 g/mol

IUPAC: (1S,4S,5R,8S,13S,14R,16S,18S)-11-[2-[[(1S,5R,9R,13R,14R,15R,16R)-7-ethyl-14-hydroxy-5-methyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadec-11-en-12-yl]methoxy]ethyl]-5-methyl-17-methylidene-9-oxa-11-azahexacyclo[14.2.2.01,14.04,13.05,10.08,13]icosan-18-ol

Overview

Molecular Formula C44H64N2O4
Molecular Weight 685.00 g/mol
Canonical SMILES CCN1CC2(CCCC34C2CC(C31)C56C4C(C(CC5)C(=C6)COCCN7CC89C(CCC12C8CC(CC1)C(=C)C2O)C1(C7OC9CC1)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy