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Substance Name: Deluteval
RN: 70643-78-6
InChIKey: ZPHUUJHTOZOTMD-JWMMRIGJSA-N

Note

  • Contains estradiol valerate and hydroxyprogesterone caproate.

Molecular Formula

  • C27-H40-O4.C22-H32-O3

Molecular Weight

  • 785.1118
 
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Names and Synonyms

Name of Substance

  • Deluteval

Synonym

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-pentanoate, mixt. with 17-((1-oxohexyl)oxy)pregn-4-ene-3,20-dione

Systematic Name

  • Pregn-4-ene-3,20-dione, 17-((1-oxohexyl)oxy)-, mixt. with (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate

Registry Numbers

CAS Registry Number

  • 70643-78-6

System Generated Number

  • 0070643786

Molecular Formulas

Molecular Formula

  • C27-H40-O4.C22-H32-O3

Molecular Formula Fragments

  • C22-H32-O3
  • C27-H40-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H40O4.C23H32O3/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4;1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h17,21-23H,5-16H2,1-4H3;7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t21-,22+,23+,25+,26+,27+;18-,19-,20+,21+,23+/m11/s1

InChIKey

ZPHUUJHTOZOTMD-JWMMRIGJSA-N

Smiles

CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C.CCCCC(=O)O[C@H]5CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C