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Substance Name: 5-Benzofuranol, 4-(benzylaminomethyl)-2-bromo-3-phenyl-
RN: 100347-62-4
InChIKey: YGSQRCUTRBEXNJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-Br-N-O

Molecular Weight

  • 408.2932
 
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Names and Synonyms

Synonyms

  • 2-Bromo-3-phenyl-4-benzylaminomethyl-5-hydroxybenzofuran
  • 4-(Benzylaminomethyl)-2-bromo-3-phenyl-5-benzofuranol

Systematic Name

  • 5-Benzofuranol, 4-(benzylaminomethyl)-2-bromo-3-phenyl-

Registry Numbers

CAS Registry Number

  • 100347-62-4

System Generated Number

  • 0100347624

Structure Descriptors

InChI

1S/C22H18BrNO2/c23-22-20(16-9-5-2-6-10-16)21-17(18(25)11-12-19(21)26-22)14-24-13-15-7-3-1-4-8-15/h1-12,24-25H,13-14H2

InChIKey

YGSQRCUTRBEXNJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNCc2c(ccc3c2c(c(o3)Br)c4ccccc4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 245mg/kg (245mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1560, 1978.