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85-18-7

85-18-7 structural image
Product Name: 8-Chlorotheophylline
Formula: C7H7ClN4O2
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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 P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 214.61 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 214.0257532 g/mol
Monoisotopic Mass 214.0257532 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 297
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

8-chlorotheophylline is 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine. It has a role as a central nervous system stimulant. It is a member of purines and an organochlorine compound. It is a conjugate acid of an 8-chlorotheophylline(1-).

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All suppliers(6)