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Substance Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-(4-(2-methoxyethyl)-1-piperazinyl)-6-phenyl-, (E)-2-butenedioate (1:2)
RN: 88701-68-2
InChIKey: YJTZWOGCCWYZGO-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-Cl-N6-O.2C4-H4-O4

Molecular Weight

  • 669.0877
 
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Names and Synonyms

  • 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-(4-(2-methoxyethyl)-1-piperazinyl)-6-phenyl-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 88701-68-2

System Generated Number

  • 0088701682

Molecular Formulas

Molecular Formula

  • C23-H25-Cl-N6-O.2C4-H4-O4

Molecular Formula Fragments

  • C23-H25-Cl-N6-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25ClN6O.2C4H4O4/c1-31-14-13-28-9-11-29(12-10-28)23-27-26-21-16-25-22(17-5-3-2-4-6-17)19-15-18(24)7-8-20(19)30(21)23;2*5-3(6)1-2-4(7)8/h2-8,15H,9-14,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

YJTZWOGCCWYZGO-LVEZLNDCSA-N

Smiles

n12c(CN=C(c3c1ccc(c3)Cl)c1ccccc1)nnc2N1CCN(CC1)CCOC.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 > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 2395, 1983.