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Substance Name: 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)
RN: 67767-01-5
InChIKey: XJPCDHCGIUXILD-CEAXSRTFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H58-N6-O2.C4-H6-O6

Molecular Weight

  • 829.046
 
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Names and Synonyms

  • 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 67767-01-5

System Generated Number

  • 0067767015

Molecular Formulas

Molecular Formula

  • C42-H58-N6-O2.C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C42-H58-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H29N3O.C4H6O6/c2*1-3-23(4-2)13-12-15-10-11-17-21-20(15)19(25)14-24(21)18-9-7-5-6-8-16(18)22-17;5-1(3(7)8)2(6)4(9)10/h2*10-11,15H,3-9,12-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

InChIKey

XJPCDHCGIUXILD-CEAXSRTFSA-N

Smiles

C=12C3=NC4=C(N2CC(C1[C@@H](C=C3)CC[NH+](CC)CC)=O)CCCCC4.C12=C3[C@@H](C=CC2=NC2=C(N1CC3=O)CCCCC2)CC[NH+](CC)CC.C([C@@H]([C@H](C(=O)[O-])O)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.