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Substance Name: Rifamycin, 3-(((2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl)imino)methyl)-
RN: 35827-02-2
InChIKey: YXGCXXSKDHCRNP-DEWHWMQSSA-N

Molecular Formula

  • C51-H66-N4-O12

Molecular Weight

  • 927.098
 
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Names and Synonyms

Synonym

  • 3-(((2,5-Dimethyl-4-(phenylmethyl)-1-piperazinyl)imino)methyl)rifamycin

Systematic Name

  • Rifamycin, 3-(((2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl)imino)methyl)-

Registry Numbers

CAS Registry Number

  • 35827-02-2

System Generated Number

  • 0035827022

Structure Descriptors

InChI

1S/C51H66N4O12/c1-26-16-15-17-27(2)50(63)53-41-36(22-52-55-24-28(3)54(23-29(55)4)25-35-18-13-12-14-19-35)45(60)38-39(46(41)61)44(59)33(8)48-40(38)49(62)51(10,67-48)65-21-20-37(64-11)30(5)47(66-34(9)56)32(7)43(58)31(6)42(26)57/h12-22,26,28-32,37,42-43,47,57-61H,23-25H2,1-11H3,(H,53,63)/b16-15+,21-20+,27-17-,52-22+/t26-,28?,29?,30+,31+,32+,37-,42-,43+,47+,51-/m0/s1

InChIKey

YXGCXXSKDHCRNP-DEWHWMQSSA-N

Smiles

c12c(c(O)c3c4c(c(c(O)c3c2O)C)O[C@](C)(C4=O)OC=C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)OC(C)=O)\C=N\N1C[C@@H]([N@@](Cc2ccccc2)C[C@@H]1C)C