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Substance Name: 1,3-Propanediamine, N,N-dimethyl-N'-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-, (Z)-2-butenedioate (1:2)
RN: 61326-21-4
InChIKey: RAFOGWSTKIBCAM-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-F-N4-S.2C4-H4-O4

Molecular Weight

  • 578.6149
 
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Names and Synonyms

  • 1,3-Propanediamine, N,N-dimethyl-N'-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 61326-21-4

System Generated Number

  • 0061326214

Molecular Formulas

Molecular Formula

  • C18-H23-F-N4-S.2C4-H4-O4

Molecular Formula Fragments

  • C18-H23-F-N4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23FN4S.2C4H4O4/c1-4-13-11-14-17(20-8-5-9-23(2)3)21-16-10-12(19)6-7-15(16)22-18(14)24-13;2*5-3(6)1-2-4(7)8/h6-7,10-11,22H,4-5,8-9H2,1-3H3,(H,20,21);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

RAFOGWSTKIBCAM-SPIKMXEPSA-N

Smiles

CCc1sc2c(c1)C(=Nc3c(ccc(c3)F)N2)NCCCN(C)C.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 > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 878, 1980.