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Substance Name: Pregn-5-en-20-ol, 3-(2-(diethylamino)ethoxy)-, (3-beta,20R)-
RN: 68710-60-1
InChIKey: WKNRJHYKBLWKMI-DPAQBDIFSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C27-H47-N-O2

Molecular Weight

  • 417.6733
 
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Names and Synonyms

Synonyms

  • (3-beta,20R)-3-(2-(Diethylamino)ethoxy)pregn-5-en-20-ol
  • Diethylaminoethoxy-3-beta-hydroxy-20-beta-pregnene-5
  • IB003

Systematic Name

  • Pregn-5-en-20-ol, 3-(2-(diethylamino)ethoxy)-, (3-beta,20R)-

Registry Numbers

CAS Registry Number

  • 68710-60-1

System Generated Number

  • 0068710601

Structure Descriptors

InChI

1S/C27H47NO2/c1-6-28(7-2)16-17-30-21-12-14-26(4)20(18-21)8-9-22-24-11-10-23(19(3)29)27(24,5)15-13-25(22)26/h8,19,21-25,29H,6-7,9-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

WKNRJHYKBLWKMI-DPAQBDIFSA-N

Smiles

CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@@H](C)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 145mg/kg (145mg/kg)   French Demande Patent Document. Vol. #2361899,
mammal (species unspecified) LD50 oral 850mg/kg (850mg/kg)   French Demande Patent Document. Vol. #2361899,