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Substance Name: 1(2H)-Isoquinolinone, 4-(3-((2-(4-aminophenoxy)-1-methylethyl)amino)-2-hydroxypropoxy)-
RN: 93750-08-4
InChIKey: YWNVPGWFPPUMNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O4

Molecular Weight

  • 383.4455
 
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Names and Synonyms

Synonyms

  • 4-(3-((2-(4-Aminophenoxy)-1-methylethyl)amino)-2-hydroxypropoxy)-1(2H)-isoquinolinone
  • 4-(3-(2-(4-Aminophenoxy)-1-methylethylamino)-2-hydroxypropoxy)isocarbostyril

Systematic Name

  • 1(2H)-Isoquinolinone, 4-(3-((2-(4-aminophenoxy)-1-methylethyl)amino)-2-hydroxypropoxy)-

Registry Numbers

CAS Registry Number

  • 93750-08-4

System Generated Number

  • 0093750084

Structure Descriptors

InChI

1S/C21H25N3O4/c1-14(12-27-17-8-6-15(22)7-9-17)23-10-16(25)13-28-20-11-24-21(26)19-5-3-2-4-18(19)20/h2-9,11,14,16,23,25H,10,12-13,22H2,1H3,(H,24,26)

InChIKey

YWNVPGWFPPUMNW-UHFFFAOYSA-N

Smiles

CC(COc1ccc(cc1)N)NCC(COc2c[nH]c(=O)c3c2cccc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 77400ug/kg (77.4mg/kg)   United States Patent Document. Vol. #4526893,
mammal (species unspecified) LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4526893,