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Substance Name: TS 108
RN: 229634-98-4
InChIKey: VOHOCSJONOJOSD-SCIDSJFVSA-N

Note

  • An antiestrogen.

Molecular Formula

  • C33-H47-N-O3.C6-H8-O7

Molecular Weight

  • 697.8605
 
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Names and Synonyms

Name of Substance

  • TS 108

Synonyms

  • (7alpha)-21-(4-((Diethylamino)methyl)-2-methoxyphenoxy)-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol 2-hydroxy-1,2,3-propanetricarboxylate
  • SR 16234
  • SR16234
  • TAS-108

Registry Numbers

CAS Registry Number

  • 229634-98-4

Other Registry Number

  • 354808-47-2

System Generated Number

  • 0229634984

Molecular Formulas

Molecular Formula

  • C33-H47-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C33-H47-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C33H47NO3.C6H8O7/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,25-,28-,29+,32-,33-;/m1./s1

InChIKey

VOHOCSJONOJOSD-SCIDSJFVSA-N

Smiles

[C@@H]12[C@](CC[C@H]3[C@H]1[C@@H](Cc1c3ccc(c1)O)C)([C@H](CC2)CCOc1c(cc(CN(CC)CC)cc1)OC)C.C(CC(=O)O)(CC(=O)O)(C(=O)O)O