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TONABERSAT

TONABERSAT structure

CAS No:
175013-84-0
Formula:
C20H19ClFNO4
Chemical Name:
TONABERSAT
Synonyms:
TONABERSAT;N-[(3S,4S)-6-Acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-3-chloro-4-fluoro-benzamide;SB 22045;SB 220453;2H-Benzo(B)pyran-3-ol, 6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-;Tonabersat [ban, inn];SB 220453;SB220453;N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-diMethylchroMan-4-yl)-3-chloro-4-fluorobenzaMide

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TONABERSAT Basic Attributes

Molecular Weight：

391.82

Exact Mass：

391.0986639

UNII：

2XD9773ZMN

DSSTox ID：

DTXSID40169923

Characteristics

Density：

1.38

Boiling Point：

554.5±50.0 °C(Predicted)

PKA：

11.86±0.60

Safety Information

Transport codes：

UN 3077 9 / PGIII

Drug Information

Drug Indication：

Investigated for use/treatment in migraine and cluster headaches.

MeSH Entry Terms：

6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-2H-benzo(b)pyran-3-ol

TONABERSAT Use and Manufacturing

It is a cholinesterase inhibitor for treating and preventing migraine. An antimigraine agent

Computed Properties

Molecular Weight:391.8
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:391.0986639
Monoisotopic Mass:391.0986639
Topological Polar Surface Area:75.6
Heavy Atom Count:27
Complexity:586
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of TONABERSAT

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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