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Substance Name: 19-Norpregna-1,3,5(10)-trien-20-ynol, 3(or 17)-((4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)oxy)-, (17alpha)-
RN: 119252-96-9
InChIKey: ZMQJZDSZZYIXHC-NUFABLDKSA-N

Molecular Formula

  • C32-H31-Cl-N4-O2

Molecular Weight

  • 539.0759
 
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Names and Synonyms

Synonym

  • Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol

Systematic Name

  • 19-Norpregna-1,3,5(10)-trien-20-ynol, 3(or 17)-((4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)oxy)-, (17alpha)-

Registry Numbers

CAS Registry Number

  • 119252-96-9

System Generated Number

  • 0119252969

Structure Descriptors

InChI

1S/C32H31ClN4O2/c1-4-20-10-12-25-23-11-9-18-15-27(26(38)16-24(18)22(23)13-14-32(20,25)2)39-31-35-29(34-30(33)36-31)28-21-8-6-5-7-19(21)17-37(28)3/h1,5-8,15-17,20,22-23,25,38H,9-14H2,2-3H3/t20-,22+,23-,25+,32-/m1/s1

InChIKey

ZMQJZDSZZYIXHC-NUFABLDKSA-N

Smiles

C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@H]2C#C)Oc5nc(nc(n5)Cl)c6c7ccccc7cn6C)O