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Substance Name: U 75412E
RN: 130590-09-9
InChIKey: XNDQWPIMUDVRGY-IBFSQUBVSA-N

Note

  • A member of the lazaroid family of 21-amino steroid derivatives.

Molecular Formula

  • C33-H44-N4-O2.C4-H4-O4

Molecular Weight

  • 644.808
 
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Names and Synonyms

Name of Substance

  • U 75412E

Synonyms

  • U-75412E
  • U75412E

Systematic Name

  • Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 130590-09-9

System Generated Number

  • 0130590099

Molecular Formulas

Molecular Formula

  • C33-H44-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C33-H44-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C33H44N4O2.C4H4O4/c1-5-34-28-7-6-14-35-31(28)37-17-15-36(16-18-37)21-29(39)30-22(2)19-27-25-9-8-23-20-24(38)10-12-32(23,3)26(25)11-13-33(27,30)4;5-3(6)1-2-4(7)8/h6-7,10-12,14,20,22,25,27,30,34H,5,8-9,13,15-19,21H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-,25-,27+,30-,32+,33+;/m1./s1

InChIKey

XNDQWPIMUDVRGY-IBFSQUBVSA-N

Smiles

C=12[C@@H](CCC3=CC(=O)C=C[C@@]23C)[C@@H]2C[C@H]([C@@H](C(CN3CCN(CC3)c3ncccc3NCC)=O)[C@@]2(CC1)C)C.C(\C=C/C(=O)O)(=O)O