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Substance Name: 10H-Thieno(2,3-b)(1,5)benzodiazepine, 7-fluoro-4-(4-methyl-1-piperazinyl)-2-phenyl-, dihydrochloride, hydrate
RN: 74162-44-0
InChIKey: BKDHNKIVYKOXNY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-F-N4-S.2Cl-H.H2-O

Molecular Weight

  • 465.4217
 
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Names and Synonyms

Synonym

  • 7-Fluoro-4-(4-methyl-1-piperazinyl)-2-phenyl-10H-thieno(2,3-b)(1,5)benzodiazepine 2HCl H2O

Systematic Name

  • 10H-Thieno(2,3-b)(1,5)benzodiazepine, 7-fluoro-4-(4-methyl-1-piperazinyl)-2-phenyl-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 74162-44-0

System Generated Number

  • 0074162440

Molecular Formulas

Molecular Formula

  • C22-H21-F-N4-S.2Cl-H.H2-O

Molecular Formula Fragments

  • C22-H21-F-N4-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H21FN4S.2ClH/c1-26-9-11-27(12-10-26)21-17-14-20(15-5-3-2-4-6-15)28-22(17)25-18-8-7-16(23)13-19(18)24-21;;/h2-8,13-14,25H,9-12H2,1H3;2*1H

InChIKey

BKDHNKIVYKOXNY-UHFFFAOYSA-N

Smiles

Cl.Cl.CN1CCN(CC1)C2=Nc3cc(F)ccc3Nc4sc(cc24)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 878, 1980.