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Substance Name: 1H-Pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 1-(2-(diethylamino)ethyl)-5,6-diphenyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
RN: 67767-06-0
InChIKey: XOXFSXNFYVIVGM-CEAXSRTFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C56-H58-N6-O2.C4-H6-O6

Molecular Weight

  • 997.1996
 
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Names and Synonyms

  • 1H-Pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 1-(2-(diethylamino)ethyl)-5,6-diphenyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 67767-06-0

System Generated Number

  • 0067767060

Molecular Formulas

Molecular Formula

  • C56-H58-N6-O2.C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C56-H58-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C28H29N3O.C4H6O6/c2*1-3-29(4-2)18-19-30-24-17-11-16-23-26(21-12-7-5-8-13-21)27(22-14-9-6-10-15-22)31(28(23)24)20-25(30)32;5-1(3(7)8)2(6)4(9)10/h2*5-17H,3-4,18-20H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

InChIKey

XOXFSXNFYVIVGM-CEAXSRTFSA-N

Smiles

CCN(CC)CCN1c2cccc3c2n(c(c3c4ccccc4)c5ccccc5)CC1=O.CCN(CC)CCN1c2cccc3c2n(c(c3c4ccccc4)c5ccccc5)CC1=O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 470mg/kg (470mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 895, 1978.