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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002466

(5Z)-5-[(1S,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-5-oxido-14,15-dioxa-5-azoniatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-3-methoxy-4-methylfuran-2-one

Formula: C22H31NO7  |  Mol. Weight: 421.50 g/mol

IUPAC: (5Z)-5-[(1S,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-5-oxido-14,15-dioxa-5-azoniatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-3-methoxy-4-methylfuran-2-one

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Overview

Molecular Formula C22H31NO7
Molecular Weight 421.50 g/mol
Canonical SMILES CCC(C1CCC2C3[N+]1(CCCC4(C3C(C(=C5C(=C(C(=O)O5)OC)C)O4)C)O2)[O-])O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy