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Substance Name: 10H-Thieno(2,3-b)(1,5)benzodiazepin-4-amine, 2-ethyl-7-fluoro-N-(2-(1-piperidinyl)ethyl)-, (Z)-2-butenedioate (2:3)
RN: 74162-61-1
InChIKey: DRHZOQGPCPBKIR-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H50-F2-N8-S2.3C4-H4-O4

Molecular Weight

  • 1093.2338
 
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Names and Synonyms

  • 10H-Thieno(2,3-b)(1,5)benzodiazepin-4-amine, 2-ethyl-7-fluoro-N-(2-(1-piperidinyl)ethyl)-, (Z)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 74162-61-1

System Generated Number

  • 0074162611

Molecular Formulas

Molecular Formula

  • C40-H50-F2-N8-S2.3C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C40-H50-F2-N8-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H25FN4S.3C4H4O4/c2*1-2-15-13-16-19(22-8-11-25-9-4-3-5-10-25)23-18-12-14(21)6-7-17(18)24-20(16)26-15;3*5-3(6)1-2-4(7)8/h2*6-7,12-13,24H,2-5,8-11H2,1H3,(H,22,23);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

DRHZOQGPCPBKIR-VQYXCCSOSA-N

Smiles

CCc1sc2c(c1)C(=Nc3c(ccc(c3)F)N2)NCCN4CCCCC4.CCc1sc2c(c1)C(=Nc3c(ccc(c3)F)N2)NCCN4CCCCC4.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.