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Substance Name: U 89678
RN: 157744-31-5
InChIKey: XJKDZKQCLJIYNZ-UVBXRMJNSA-N

Molecular Formula

  • C38-H54-N6-O2

Molecular Weight

  • 626.885
 
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Names and Synonyms

Results Name

  • U 89678

Synonyms

  • U-89678
  • U89678

Systematic Name

  • Pregna-1,9(11)-diene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methyl-, (5beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 157744-31-5

System Generated Number

  • 0157744315

Structure Descriptors

InChI

1S/C38H54N6O2/c1-25-20-30-28-9-8-26-21-27(45)10-12-37(26,2)29(28)11-13-38(30,3)35(25)33(46)24-44-19-14-39-23-32(44)31-22-34(42-15-4-5-16-42)41-36(40-31)43-17-6-7-18-43/h10-12,22,25-26,28,30,32,35,39H,4-9,13-21,23-24H2,1-3H3/t25-,26-,28-,30+,32?,35-,37+,38+/m1/s1

InChIKey

XJKDZKQCLJIYNZ-UVBXRMJNSA-N

Smiles

C1(C=C[C@@]2(C3=CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CC[C@H]2C1)C)C(C[N@@]1[C@@H](CNCC1)c1nc(nc(c1)N1CCCC1)N1CCCC1)=O)C)C)=O