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Substance Name: Alanine, N-acetyl-3-(((2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)methyl)thio)-, ethyl ester
RN: 97290-44-3
InChIKey: JARJNQHXHQEGOY-FQEVSTJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-Br2-N3-O4-S

Molecular Weight

  • 607.4047
 
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Names and Synonyms

  • Alanine, N-acetyl-3-(((2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)methyl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 97290-44-3

System Generated Number

  • 0097290443

Structure Descriptors

InChI

1S/C23H33Br2N3O4S/c1-4-32-23(31)20(26-15(2)29)13-33-14-21(30)27-22-16(10-17(24)11-19(22)25)12-28(3)18-8-6-5-7-9-18/h10-11,18,20H,4-9,12-14H2,1-3H3,(H,26,29)(H,27,30)/t20-/m0/s1

InChIKey

JARJNQHXHQEGOY-FQEVSTJZSA-N

Smiles

c1(c(c(cc(c1)Br)Br)NC(=O)CSC[C@@H](C(=O)OCC)NC(=O)C)CN(C1CCCCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 108, 1985.