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78755-81-4

78755-81-4 structural image
Product Name: Flumazenil
Formula: C15H14FN3O3
Synonyms: Flumazenil - CAS 78755-81-4 - Calbiochem;GABA A Receptor Antagonist, Flumazenil, Ro 15-1788;GABAA Receptor Antagonist, Flumazenil, Ro 15-1788;Ro 15-1788;Ro15-1788
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 201-203 °C
Solubility 128 mg/L
LogP 1
Collision Cross Section 165.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2560

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 303.29 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 303.10191948 g/mol
Monoisotopic Mass 303.10191948 g/mol
Topological Polar Surface Area 64.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 461
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

Flumazenil is an organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose. It has a role as a GABA antagonist and an antidote to benzodiazepine poisoning. It is an ethyl ester, an organofluorine compound and an imidazobenzodiazepine.