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Substance Name: Quaternine
RN: 57499-02-2
InChIKey: IMTNXQPCOHYKEO-TUBOVHBISA-N

Molecular Formula

  • C23-H28-N2-O5

Molecular Weight

  • 412.483
 
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Names and Synonyms

Results Name

  • Quaternine

Synonyms

  • Alstopicralamine
  • Quaternine

Systematic Name

  • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo(2,3-a)quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-9,10-dimethoxy-12-methyl-, methyl ester, (2R,3E,6S,7aR,12aR,12bS,14R)-

Registry Numbers

CAS Registry Number

  • 57499-02-2

System Generated Number

  • 0057499022

Structure Descriptors

InChI

1S/C23H28N2O5/c1-6-12-11-25-18-7-13(12)20(21(26)29-5)22-10-19(25)30-23(18,22)24(2)15-9-17(28-4)16(27-3)8-14(15)22/h6,8-9,13,18-20H,7,10-11H2,1-5H3/b12-6-/t13-,18+,19-,20?,22?,23?/m1/s1

InChIKey

IMTNXQPCOHYKEO-TUBOVHBISA-N

Smiles

N1(C)c2c([C@@]34[C@@]51[C@@H]1C[C@@H]([C@@H]4C(OC)=O)C(\C[N@@]1[C@H](C3)O5)=C\C)cc(c(c2)OC)OC