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Lotrafiban

Lotrafiban structure

Lotrafiban 

structure
  • CAS No:

    171049-14-2

  • Formula:

    C23H32N4O4

  • Chemical Name:

    Lotrafiban

  • Synonyms:

    1H-1,4-Benzodiazepine-2-acetic acid,7-([4,4′-bipiperidin]-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-,(2S)-;1H-1,4-Benzodiazepine-2-acetic acid,7-([4,4′-bipiperidin]-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-,(S)-;(2S)-7-([4,4′-Bipiperidin]-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-1H-1,4-benzodiazepine-2-acetic acid;SB 214857;Lotrafiban

Lotrafiban Basic Attributes

428.52500

428.52

KLQ306I83X

DTXSID7057602

Characteristics

101.98000

2.10820

1.22g/cm3

730ºC

395.3ºC

1.572

2.27E-22mmHg at 25°C

Drug Information

(S)-2,3,4,5-tetrahydro-4-methyl-3-oxo-7-((4-(4-piperidyl)piperidino)carbonyl)-1H-1,4-benzodiazepine-2-acetic acid, monohydrochloride

Computed Properties

Molecular Weight:428.5
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:428.24235551
Monoisotopic Mass:428.24235551
Topological Polar Surface Area:102
Heavy Atom Count:31
Complexity:673
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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