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Substance Name: 1H-Pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 1-(2-(diethylamino)ethyl)-5-methyl-6-phenyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
RN: 67918-88-1
InChIKey: IHUZQGIQZATSRT-CEAXSRTFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H54-N6-O2.C4-H6-O6

Molecular Weight

  • 873.058
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 67918-88-1

System Generated Number

  • 0067918881

Molecular Formulas

Molecular Formula

  • C46-H54-N6-O2.C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C46-H54-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H27N3O.C4H6O6/c2*1-4-24(5-2)14-15-25-20-13-9-12-19-22(18-10-7-6-8-11-18)17(3)26(23(19)20)16-21(25)27;5-1(3(7)8)2(6)4(9)10/h2*6-13H,4-5,14-16H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

InChIKey

IHUZQGIQZATSRT-CEAXSRTFSA-N

Smiles

CCN(CC)CCN1c2cccc3c2n(c(c3c4ccccc4)C)CC1=O.CCN(CC)CCN1c2cccc3c2n(c(c3c4ccccc4)C)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.