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Substance Name: TX 3047
RN: 78822-05-6
InChIKey: RZLDDHBBEVPZBG-MWQZOGEYSA-M

Molecular Weight

  • 603.9033
 
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Names and Synonyms

Name of Substance

  • TX 3047

Synonyms

  • Diethylamino-3-beta-ethoxy-20-hydroxy-pregn-5-ene methyl-p-toluene sulfonate
  • TX-3047

Systematic Name

  • Ethanaminium, N,N-diethyl-2-(((3beta)-20-hydroxypregn-5-en-3-yl)oxy)-N-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 78822-05-6

System Generated Number

  • 0078822056

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+;/m0./s1

InChIKey

RZLDDHBBEVPZBG-MWQZOGEYSA-M

Smiles

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