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Substance Name: N-Didesmethyl bedaquiline
RN: 955404-04-3
UNII: 72A84E460J
InChIKey: NJEYEDSQSKSUQT-PQHLKRTFSA-N

Molecular Formula

  • C30-H27-Br-N2-O2

Molecular Weight

  • 527.4593
 
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Names and Synonyms

Name of Substance

  • N-Didesmethyl bedaquiline

Synonyms

  • 3-Quinolineethanol, alpha-(2-aminoethyl)-6-bromo-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaS,betaR)-
  • N-Didesmethyl bedaquiline
  • R-207910D
  • R207910-d
  • UNII-72A84E460J

Registry Numbers

CAS Registry Number

  • 955404-04-3

FDA UNII

  • 72A84E460J

System Generated Number

  • 0955404043

Structure Descriptors

InChI

1S/C30H27BrN2O2/c1-35-29-25(19-22-18-23(31)14-15-27(22)33-29)28(21-9-3-2-4-10-21)30(34,16-17-32)26-13-7-11-20-8-5-6-12-24(20)26/h2-15,18-19,28,34H,16-17,32H2,1H3/t28-,30-/m1/s1

InChIKey

NJEYEDSQSKSUQT-PQHLKRTFSA-N

Smiles

COc1c(cc2cc(ccc2n1)Br)[C@@H](c3ccccc3)[C@@](CCN)(c4cccc5c4cccc5)O