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Substance Name: 3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-, cmpd. with N,N'-dibenzyl-ethylene diamine (2:1), L-
RN: 63717-00-0
InChIKey: AITDPMAXOVTSTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O6.C16-H20-N2

Molecular Weight

  • 638.845
 
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Names and Synonyms

Synonyms

  • 2H-Pyrrol-2-one, 3-acetyl-5-(1,1-dimethylethyl)-1,5-dihydro-4-hydroxy-, N,N-dibenzylethylene
  • DBED tenuazonate
  • NSC-82260
  • Tenuazonic acid, N,N'-dibenzylethylene diamine salt

Systematic Name

  • 3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-, cmpd. with N,N'-dibenzyl-ethylene diamine (2:1), L-

Registry Numbers

CAS Registry Number

  • 63717-00-0

System Generated Number

  • 0063717000

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O6.C16-H20-N2

Molecular Formula Fragments

  • C16-H20-N2
  • C20-H30-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N2.2C10H17NO3/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-5(12)6-7(13)8(10(2,3)4)11-9(6)14/h1-10,17-18H,11-14H2;2*6-8,13H,1-4H3,(H,11,14)

InChIKey

AITDPMAXOVTSTP-UHFFFAOYSA-N

Smiles

C1(=O)N[C@@H](C(C)(C)C)[C@@H]([C@@H]1C(=O)C)O.c1c(CNCCNCc2ccccc2)cccc1.C1(=O)N[C@@H](C(C)(C)C)[C@@H](O)[C@@H]1C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LDLo intravenous 44800ug/kg (44.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Cancer Institute Report. Vol. -, Pg. 112, 1965.
mouse LD50 intravenous 76mg/kg (76mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Cancer Chemotherapy Reports. Vol. 52, Pg. 579, 1968.
mouse LD50 oral 182mg/kg (182mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Cancer Chemotherapy Reports. Vol. 52, Pg. 579, 1968.
rat LD50 intravenous 83mg/kg (83mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Cancer Chemotherapy Reports. Vol. 52, Pg. 579, 1968.
rat LD50 oral 209mg/kg (209mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Cancer Chemotherapy Reports. Vol. 52, Pg. 579, 1968.