(3E,5α,6α)-3-[(2-Aminoethoxy)imino]-17-oxoandrostane-6-carboxamide (2E)-2-butenedioate (1:1)

More details:

• Systematic name

  (3E,5alpha,6alpha)-3-[(2-Aminoethoxy)imino]-17-oxoandrostane-6-carboxamide (2E)-2-butenedioate (1:1)

• SMILES

  C[C@]12CC/C(=N\OCCN)/C[C@@H]1[C@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C(=O)N.C(=C/C(=O)O)\C(=O)O

• Std. InChi

  InChI=1S/C22H35N3O3.C4H4O4/c1-21-7-5-13(25-28-10-9-23)11-18(21)15(20(24)27)12-14-16-3-4-19(26)22(16,2)8-6-17(14)21;5-3(6)1-2-4(7)8/h14-18H,3-12,23H2,1-2H3,(H2,24,27);1-2H,(H,5,6)(H,7,8)/b25-13+;2-1+/t14-,15-,16-,17-,18+,21+,22-;/m0./s1

• Std. InChIKey

  TYTOSNMWOVETLT-IOIWPGIOSA-N

• Cite this record

  CSID:25031874, http://www.chemspider.com/Chemical-Structure.25031874.html (accessed 11:39, May 4, 2024)