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Substance Name: Ethanaminium, N,N-diethyl-2-(((3-beta,20R)-20-hydroxypregn-5-en-3-yl)oxy)-N-methyl-, 4-methylbenzenesulfonate (salt)
RN: 68710-62-3
InChIKey: RZLDDHBBEVPZBG-FEQIGCHASA-M

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C28-H50-N-O2.C7-H7-O3-S

Molecular Weight

  • 603.9033
 
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Names and Synonyms

Synonyms

  • Paratoluenesulfonate de methyle du diethylamino ethoxy-3-beta-hydroxy-20-beta-pregnene-5
  • TX 047

Systematic Name

  • Ethanaminium, N,N-diethyl-2-(((3-beta,20R)-20-hydroxypregn-5-en-3-yl)oxy)-N-methyl-, 4-methylbenzenesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 68710-62-3

System Generated Number

  • 0068710623

Molecular Formulas

Molecular Formula

  • C28-H50-N-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C28-H50-N-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H50NO2.C7H8O3S/c1-7-29(6,8-2)17-18-31-22-13-15-27(4)21(19-22)9-10-23-25-12-11-24(20(3)30)28(25,5)16-14-26(23)27;1-6-2-4-7(5-3-6)11(8,9)10/h9,20,22-26,30H,7-8,10-19H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t20-,22+,23?,24-,25?,26?,27+,28-;/m1./s1

InChIKey

RZLDDHBBEVPZBG-FEQIGCHASA-M

Smiles

CC[N+](C)(CC)CCO[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)[C@@H](C)O)C)C.Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 67mg/kg (67mg/kg)   French Demande Patent Document. Vol. #2361899,
mammal (species unspecified) LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2361899,