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Substance Name: 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)
RN: 133994-52-2
InChIKey: LZIXELIVWOWCDN-CQWFHMBZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3.C7-H6-O2

Molecular Weight

  • 490.5966
 
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Names and Synonyms

  • 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,R*)-, monobenzoate (salt)

Registry Numbers

CAS Registry Number

  • 133994-52-2

System Generated Number

  • 0133994522

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3.C7-H6-O2

Molecular Formula Fragments

  • C22-H28-N2-O3
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2O3.C7H6O2/c1-22(2,3)24-13-15(25)14-27-20-10-5-4-7-18(20)21(26)17-8-6-9-19-16(17)11-12-23-19;8-7(9)6-4-2-1-3-5-6/h4-12,15,21,23-26H,13-14H2,1-3H3;1-5H,(H,8,9)/t15-,21-;/m1./s1

InChIKey

LZIXELIVWOWCDN-CQWFHMBZSA-N

Smiles

CC(C)(C)NC[C@H](COc1ccccc1[C@@H](c2cccc3c2cc[nH]3)O)O.c1ccc(cc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5086070,