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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-ethoxyethyl)-1-piperazinyl)-, (E)-2-butenedioate (1:2)
RN: 88701-74-0
InChIKey: MGRCGKCYLMVWIK-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-Cl2-N6-O.2C4-H4-O4

Molecular Weight

  • 717.5596
 
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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-ethoxyethyl)-1-piperazinyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 88701-74-0

System Generated Number

  • 0088701740

Molecular Formulas

Molecular Formula

  • C24-H26-Cl2-N6-O.2C4-H4-O4

Molecular Formula Fragments

  • C24-H26-Cl2-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26Cl2N6O.2C4H4O4/c1-2-33-14-13-30-9-11-31(12-10-30)24-29-28-22-16-27-23(18-5-3-4-6-20(18)26)19-15-17(25)7-8-21(19)32(22)24;2*5-3(6)1-2-4(7)8/h3-8,15H,2,9-14,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MGRCGKCYLMVWIK-LVEZLNDCSA-N

Smiles

n12c(CN=C(c3c1ccc(c3)Cl)c1c(cccc1)Cl)nnc2N1CCN(CC1)CCOCC.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=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.