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Substance Name: Macusine A iodide
RN: 58462-33-2
UNII: 964B970QGG
InChIKey: VVOSRYHOWNMDIG-PVFPYHDPSA-M

Molecular Formula

  • C22-H27-N2-O3.I

Molecular Weight

  • 494.3663
 
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Names and Synonyms

Name of Substance

  • Macusine A iodide

Synonyms

  • 16-Epimacusine C iodide
  • Macusine A iodide
  • N-Methylpolyneuridinium iodide
  • Sarpaganium, 17-hydroxy-16-(methoxycarbonyl)-4-methyl-, iodide (1:1), (16R)-
  • Sarpaganium, 17-hydroxy-16-(methoxycarbonyl)-4-methyl-, iodide, (16R)-
  • UNII-964B970QGG

Registry Numbers

CAS Registry Number

  • 58462-33-2

FDA UNII

  • 964B970QGG

System Generated Number

  • 0058462332

Structure Descriptors

InChI

1S/C22H27N2O3.HI/c1-4-13-11-24(2)18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23-20(15)18;/h4-8,16,18-19,23,25H,9-12H2,1-3H3;1H/q+1;/p-1/b13-4-;/t16-,18-,19-,22+,24-;/m0./s1

InChIKey

VVOSRYHOWNMDIG-PVFPYHDPSA-M

Smiles

C/C=C\1/C[N@@+]2([C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@]3(CO)C(=O)OC)C.[I-]