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Substance Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(4-(2-(methylthio)ethyl)-1-piperazinyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 88701-76-2
InChIKey: LYWWWEBUZHWJTR-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl2-N6-S.C4-H6-O6

Molecular Weight

  • 637.542
 
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Names and Synonyms

  • 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(4-(2-(methylthio)ethyl)-1-piperazinyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 88701-76-2

System Generated Number

  • 0088701762

Molecular Formulas

Molecular Formula

  • C23-H24-Cl2-N6-S.C4-H6-O6

Molecular Formula Fragments

  • C23-H24-Cl2-N6-S
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H24Cl2N6S.C4H6O6/c1-32-13-12-29-8-10-30(11-9-29)23-28-27-21-15-26-22(17-4-2-3-5-19(17)25)18-14-16(24)6-7-20(18)31(21)23;5-1(3(7)8)2(6)4(9)10/h2-7,14H,8-13,15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

LYWWWEBUZHWJTR-LREBCSMRSA-N

Smiles

n12c(CN=C(c3c1ccc(c3)Cl)c1c(cccc1)Cl)nnc2N1CCN(CC1)CCSC.C(=O)([C@@H]([C@H](C(=O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 2395, 1983.