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Substance Name: Belladonnine, alpha-
RN: 5878-33-1
UNII: NKN20J444R
InChIKey: GERIGMSHTUAXSI-QQHGMIGWSA-N

Molecular Formula

  • C34-H42-N2-O4

Molecular Weight

  • 542.7158
 
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Names and Synonyms

Name of Substance

  • Belladonnine, alpha-

Synonyms

  • EINECS 227-550-6
  • UNII-NKN20J444R

Systematic Name

  • Bis(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 1,2,3,4-tetrahydro-1-phenylnaphthalene-1,4-dicarboxylate

Registry Numbers

CAS Registry Number

  • 5878-33-1

FDA UNII

  • NKN20J444R

System Generated Number

  • 0005878331

Structure Descriptors

InChI

1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24+,25-,26+,27+,28+,30-,34+/m0/s1

InChIKey

GERIGMSHTUAXSI-QQHGMIGWSA-N

Smiles

CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H]3CC[C@](c4c3cccc4)(c5ccccc5)C(=O)O[C@H]6C[C@H]7CC[C@@H](C6)N7C