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Substance Name: 10H-Thieno(2,3-b)(1,5)benzodiazepine, 4-((2-(dimethylamino)ethyl)amino)-2-ethyl-7-fluoro-, maleate (2:3)
RN: 102612-97-5
InChIKey: BRLDVBCBYQJFQH-NADWBWQFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-F-N4-S.3/2C4-H4-O4

Molecular Weight

  • 1013.1046
 
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Names and Synonyms

  • 10H-Thieno(2,3-b)(1,5)benzodiazepine, 4-((2-(dimethylamino)ethyl)amino)-2-ethyl-7-fluoro-, maleate (2:3)

Registry Numbers

CAS Registry Number

  • 102612-97-5

System Generated Number

  • 0102612975

Molecular Formulas

Molecular Formula

  • C17-H21-F-N4-S.3/2C4-H4-O4

Molecular Formula Fragments

  • C17-H21-F-N4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H21FN4S.3C4H4O4/c2*1-4-12-10-13-16(19-7-8-22(2)3)20-15-9-11(18)5-6-14(15)21-17(13)23-12;3*5-3(6)1-2-4(7)8/h2*5-6,9-10,21H,4,7-8H2,1-3H3,(H,19,20);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1-

InChIKey

BRLDVBCBYQJFQH-NADWBWQFSA-N

Smiles

CCc1sc2c(c1)C(=Nc3c(ccc(c3)F)N2)NCCN(C)C.CCc1sc2c(c1)C(=Nc3c(ccc(c3)F)N2)NCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

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.