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Substance Name: DL-Tryptophan, N-((5-bromo-1H-indol-3-yl)oxocetyl)-
RN: 97500-78-2
InChIKey: PSJAUUGSUMPHKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-Br-N3-O4

Molecular Weight

  • 636.6704
 
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Names and Synonyms

Synonyms

  • BRN 5650921
  • N-((5-Bromo-1H-indol-3-yl)oxoacetyl)-DL-tryptophan

Systematic Name

  • DL-Tryptophan, N-((5-bromo-1H-indol-3-yl)oxocetyl)-

Registry Numbers

CAS Registry Number

  • 97500-78-2

System Generated Number

  • 0097500782

Structure Descriptors

InChI

1S/C35H46BrN3O3/c36-27-19-20-32-29(23-27)30(25-38-32)33(18-12-10-8-6-4-2-1-3-5-7-9-11-15-21-40)39-34(35(41)42)22-26-24-37-31-17-14-13-16-28(26)31/h13-14,16-17,19-21,23-25,33-34,37-39H,1-12,15,18,22H2,(H,41,42)

InChIKey

PSJAUUGSUMPHKO-UHFFFAOYSA-N

Smiles

c1(c2c([nH]c1)ccc(c2)Br)C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCCCCCCCCCCCCCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 507, 1984.
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 507, 1984.