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Substance Name: 3-(((4-((4-Cyanophenyl)methyl)-2,6-dimethyl-1-piperazinyl)imino)methyl)rifamycin
RN: 72943-37-4
InChIKey: VIEZZGHBQDFAGT-CTLQZCGTSA-N

Molecular Formula

  • C52-H65-N5-O12

Molecular Weight

  • 952.1085
 
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Names and Synonyms

Synonym

  • NSC 184736

Systematic Name

  • 3-(((4-((4-Cyanophenyl)methyl)-2,6-dimethyl-1-piperazinyl)imino)methyl)rifamycin

Registry Numbers

CAS Registry Number

  • 72943-37-4

System Generated Number

  • 0072943374

Structure Descriptors

InChI

1S/C52H65N5O12/c1-26-13-12-14-27(2)51(65)55-42-37(22-54-57-28(3)23-56(24-29(57)4)25-36-17-15-35(21-53)16-18-36)46(62)39-40(47(42)63)45(61)33(8)49-41(39)50(64)52(10,69-49)67-20-19-38(66-11)30(5)48(68-34(9)58)32(7)44(60)31(6)43(26)59/h12-20,22,26,28-32,38,43-44,48,59-63H,23-25H2,1-11H3,(H,55,65)/b13-12+,20-19+,27-14-,54-22+/t26-,28?,29?,30+,31+,32+,38-,43-,44+,48+,52-/m0/s1

InChIKey

VIEZZGHBQDFAGT-CTLQZCGTSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5C(CN(CC5C)Cc6ccc(cc6)C#N)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O