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Substance Name: 1-Propanol, 3-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-ylamino)-, maleate
RN: 61326-29-2
InChIKey: WJNRXJJAUSDUOO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-F-N3-O-S.C4-H4-O4

Molecular Weight

  • 435.4738
 
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Names and Synonyms

Synonym

  • 3-(2-Ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-ylamino)-1-propanol maleate

Systematic Name

  • 1-Propanol, 3-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-ylamino)-, maleate

Registry Numbers

CAS Registry Number

  • 61326-29-2

System Generated Number

  • 0061326292

Molecular Formulas

Molecular Formula

  • C16-H18-F-N3-O-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H18-F-N3-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18FN3OS.C4H4O4/c1-2-11-9-12-15(18-6-3-7-21)19-14-8-10(17)4-5-13(14)20-16(12)22-11;5-3(6)1-2-4(7)8/h4-5,8-9,20-21H,2-3,6-7H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WJNRXJJAUSDUOO-WLHGVMLRSA-N

Smiles

CCc1cc2C(=Nc3cc(F)ccc3Nc2s1)NCCCO.OC(=O)\C=C\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.