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Substance Name: 25-Desacetylrifapentine
RN: 79039-56-8
UNII: 29A0K44SJO
InChIKey: LPUNEQQTZOWCNO-WHXRYXKQSA-N

Note

  • Main metabolite of DL 473-IT in plasma.

Molecular Formula

  • C45-H62-N4-O11

Molecular Weight

  • 835.0018
 
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Names and Synonyms

Results Name

  • 25-Desacetylrifapentine

Name of Substance

  • 25-Desacetylrifapentine

Synonyms

  • 25-Desacetylrifapentine
  • L-14583
  • UNII-29A0K44SJO

Systematic Name

  • Rifamycin, 3-(((4-cyclopentyl-1-piperazinyl)imino)methyl)-25-O-deacetyl-

Registry Numbers

CAS Registry Number

  • 79039-56-8

FDA UNII

  • 29A0K44SJO

System Generated Number

  • 0079039568

Structure Descriptors

InChI

1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11+,21-16+,24-13+,46-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1

InChIKey

LPUNEQQTZOWCNO-WHXRYXKQSA-N

Smiles

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)\C)c(\C=N\N5CCN(CC5)C6CCCC6)c(O)c4c3C2=O