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Substance Name: Arctigenin mustard
RN: 26788-57-8
InChIKey: RIGQMIXEZUDZAQ-CMXBXVFLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-Cl-N-O6.Cl-H

Molecular Weight

  • 514.443
 
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Names and Synonyms

Results Name

  • Arctigenin mustard

Synonyms

  • 3-((3-(((2-Chloroethyl)methylamino)methyl)-4-hydroxy-5-methoxyphenyl)methyl)-4-((3,4-dimethoxyphenyl)methyl)dihydro-2(3H)-furanone hydrochloride, (3R-trans)-
  • 3-(5-(((2-Chloroethyl)methylamino)methyl)vanillyl)dihydro-4-veratryl-2(3H)-furanone HCl
  • AgM
  • Arctigenin mustard
  • Chloroethylmethylaminomethyl-arctigenin

Systematic Names

  • 2(3H)-Furanone, 3-((3-(((2-chloroethyl)methylamino)methyl)-4-hydroxy-5-methoxyphenyl)methyl)-4-((3,4-dimethoxyphenyl)methyl)dihydro-, hydrochloride, (3R-trans)-
  • 2(3H)-Furanone, 3-(5-(((2-chloroethyl)methylamine)methyl)vanillyl)dihydro-4-veratryl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 26788-57-8

System Generated Number

  • 0026788578

Molecular Formulas

Molecular Formula

  • C25-H32-Cl-N-O6.Cl-H

Molecular Formula Fragments

  • C25-H32-Cl-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32ClNO6.ClH/c1-27(8-7-26)14-18-10-17(13-23(32-4)24(18)28)11-20-19(15-33-25(20)29)9-16-5-6-21(30-2)22(12-16)31-3;/h5-6,10,12-13,19-20,28H,7-9,11,14-15H2,1-4H3;1H/t19-,20+;/m0./s1

InChIKey

RIGQMIXEZUDZAQ-CMXBXVFLSA-N

Smiles

O1C([C@@H]([C@H](C1)Cc1cc(c(cc1)OC)OC)Cc1cc(c(c(c1)OC)O)C[N@@](C)CCCl)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 236mg/kg (236mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANALGESIA

BEHAVIORAL: ATAXIA
Chemotherapy Vol. 15(4), Pg. 250, 1970.