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502487-67-4

502487-67-4 structural image
Product Name: SQ 109
Formula: C22H38N2
Synonyms: N-[(2E)-3,7-Dimethyl-2,6-octadienyl]-N′-tricyclo[3.3.1.13,7]dec-2-yl-1,2-ethanediamine;N-[(2E)-3,7-dimethyl-2,6-octadienyl]-N??-tricyclo[3.3.1.13,7]dec-2-yl-1,2-ethanediamine;NSC 722041
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 330.5 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 330.303499221 g/mol
Monoisotopic Mass 330.303499221 g/mol
Topological Polar Surface Area 24.1 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 431
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

SQ-109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ-109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen.

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