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Substance Name: Nco 700
RN: 84579-82-8
InChIKey: AWNIEFSZNNQBRL-ZCNUETMSSA-N

Note

  • Synthetic inhibitor of calcium-activated protease.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H39-N3-O8.1/2H2-O4-S

Molecular Weight

  • 1141.29
 
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Names and Synonyms

Name of Substance

  • Nco 700

Systematic Name

  • Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, ethyl ester, (2R-(2-alpha,3-beta(S*)))-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 84579-82-8

System Generated Number

  • 0084579828

Molecular Formulas

Molecular Formula

  • C26-H39-N3-O8.1/2H2-O4-S

Molecular Formula Fragments

  • C26-H39-N3-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C26H39N3O8.H2O4S/c2*1-7-36-26(32)23-22(37-23)24(30)27-18(14-16(2)3)25(31)29-12-10-28(11-13-29)15-17-8-9-19(33-4)21(35-6)20(17)34-5;1-5(2,3)4/h2*8-9,16,18,22-23H,7,10-15H2,1-6H3,(H,27,30);(H2,1,2,3,4)/t2*18?,22-,23-;/m11./s1

InChIKey

AWNIEFSZNNQBRL-ZCNUETMSSA-N

Smiles

O1[C@H]([C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(CC1)Cc1c(c(c(cc1)OC)OC)OC)C(=O)OCC.S(=O)(=O)(O)O.O1[C@H]([C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(CC1)Cc1c(c(c(cc1)OC)OC)OC)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 374mg/kg (374mg/kg)   United States Patent Document. Vol. #4507297,