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Substance Name: Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-, monohydrochloride, (S)-
RN: 102293-39-0
InChIKey: VKJHTUVLJYWAEY-NTISSMGPSA-N

Molecular Formula

  • C20-H33-N3-O4.Cl-H

Molecular Weight

  • 415.9586
 
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Names and Synonyms

Synonyms

  • (-)-3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochloride
  • NBP-583

Systematic Name

  • Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-, monohydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 102293-39-0

System Generated Number

  • 0102293390

Molecular Formulas

Molecular Formula

  • C20-H33-N3-O4.Cl-H

Molecular Formula Fragments

  • C20-H33-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H/t16-;/m0./s1

InChIKey

VKJHTUVLJYWAEY-NTISSMGPSA-N

Smiles

CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@H](CNC(C)(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1242mg/kg (1242mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 38, Pg. 295, 1989.