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Substance Name: Urea, N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-
RN: 125579-40-0
InChIKey: QPWPODQCWFCWKS-UHFFFAOYSA-N

Molecular Formula

  • C31-H46-N4-O7

Molecular Weight

  • 586.725
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(3-acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)urea
  • CCRIS 4209
  • N,N'-Bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea
  • N-113

Systematic Names

  • 1,3-Bis(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea
  • Urea, N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 125579-40-0

System Generated Number

  • 0125579400

Structure Descriptors

InChI

1S/C31H46N4O7/c1-19(36)25-13-21(9-11-27(25)41-17-23(38)15-32-30(3,4)5)34-29(40)35-22-10-12-28(26(14-22)20(2)37)42-18-24(39)16-33-31(6,7)8/h9-14,23-24,32-33,38-39H,15-18H2,1-8H3,(H2,34,35,40)

InChIKey

QPWPODQCWFCWKS-UHFFFAOYSA-N

Smiles

N(C(=O)Nc1cc(c(cc1)OC[C@@H](CNC(C)(C)C)O)C(=O)C)c1cc(c(cc1)OC[C@@H](CNC(C)(C)C)O)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 789mg/kg (789mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Oyo Yakuri. Pharmacometrics. Vol. 38, Pg. 295, 1989.