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Substance Name: N-Demethylmenogaril
RN: 81445-91-2
InChIKey: PPUCUNKHOFYRLN-FJSFXKJISA-N

Note

  • Major metabolite of menogaril.

Molecular Formula

  • C27-H29-N-O10

Molecular Weight

  • 527.5231
 
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Names and Synonyms

Name of Substance

  • N-Demethylmenogaril

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-4-(methylamino)-, (2R-(2alpha,3beta,4alpha,5beta,6alpha,11alpha,13alpha))-

Registry Numbers

CAS Registry Number

  • 81445-91-2

System Generated Number

  • 0081445912

Structure Descriptors

InChI

1S/C27H29NO10/c1-26(35)7-9-5-10-15(20(31)14(9)13(8-26)36-4)21(32)16-12(29)6-11-23(17(16)19(10)30)37-25-22(33)18(28-3)24(34)27(11,2)38-25/h5-6,13,18,22,24-25,28-29,31,33-35H,7-8H2,1-4H3/t13-,18-,22+,24-,25-,26+,27+/m1/s1

InChIKey

PPUCUNKHOFYRLN-FJSFXKJISA-N

Smiles

C[C@@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@H]([C@H]([C@]5(O6)C)O)NC)O)O)O