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Substance Name: A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis((4-methylmorpholinum-yl)acetate), diiodide, (2-beta,5-alpha,17-alpha)-
RN: 142546-53-0
InChIKey: GTQPANYGGRGPBN-JJQJIEFNSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C36-H54-N2-O6.2I

Molecular Weight

  • 864.6306
 
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Names and Synonyms

  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis((4-methylmorpholinium-4-yl)acetate), diiodide, (2beta,5alpha,17alpha)-
  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis((4-methylmorpholinum-yl)acetate), diiodide, (2-beta,5-alpha,17-alpha)-

Registry Numbers

CAS Registry Number

  • 142546-53-0

System Generated Number

  • 0142546530

Molecular Formulas

Molecular Formula

  • C36-H54-N2-O6.2I

Molecular Formula Fragments

  • C36-H54-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

InChI=1S/C36H54N2O6.2HI/c1-7-35(43-31(39)24-37(5)15-19-41-20-16-37)23-27-9-10-28-29(33(27,3)26-35)11-13-34(4)30(28)12-14-36(34,8-2)44-32(40)25-38(6)17-21-42-22-18-38;;/h1-2,27-30H,9-26H2,3-6H3;2*1H/q+2;;/p-2/t27?,28?,29-,30-,33-,34-,35+,36-;;/m0../s1

InChIKey

GTQPANYGGRGPBN-JJQJIEFNSA-L

Smiles

[I-].[I-].C[C@]12C[C@@](CC1CCC3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(OC(=O)C[N+]5(C)CCOCC5)C#C)(OC(=O)C[N+]6(C)CCOCC6)C#C