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Substance Name: E 5110
RN: 107746-52-1
InChIKey: NJTQENWDJVHUOX-GXDHUFHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N-O3

Molecular Weight

  • 331.453
 
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Names and Synonyms

Name of Substance

  • E 5110

Synonyms

  • 3-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-2-pyrrolidinone
  • E 5110
  • N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone

Systematic Name

  • 2-Pyrrolidinone, 3-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-

Registry Numbers

CAS Registry Number

  • 107746-52-1

System Generated Number

  • 0107746521

Structure Descriptors

InChI

1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+

InChIKey

NJTQENWDJVHUOX-GXDHUFHOSA-N

Smiles

C1CN(OC)C(\C1=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 805mg/kg (805mg/kg)   United States Patent Document. Vol. #4833160,
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4833160,
mouse LD50 parenteral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4833160,
rat LD50 intraperitoneal 47mg/kg (47mg/kg)   United States Patent Document. Vol. #4833160,
rat LD50 oral 161mg/kg (161mg/kg)   United States Patent Document. Vol. #4833160,
rat LD50 parenteral 291mg/kg (291mg/kg)   United States Patent Document. Vol. #4833160,