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Substance Name: Isorubijervine hydrobromide
RN: 5964-57-8
UNII: 4R60QXK7HW
InChIKey: UZTOZXMELVQAQG-IKDVFPFSSA-N

Molecular Formula

  • C27-H43-N-O2.Br-H

Molecular Weight

  • 494.5536
 
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Names and Synonyms

Name of Substance

  • Isorubijervine hydrobromide

Synonyms

  • Isorubijervine hydrobromide
  • Isorubijervine hydrobromide [MI]
  • Solanid-5-ene-3beta,18-diol, hydrobromide
  • UNII-4R60QXK7HW

Registry Numbers

CAS Registry Number

  • 5964-57-8

FDA UNII

  • 4R60QXK7HW

System Generated Number

  • 0005964578

Structure Descriptors

InChI

1S/C27H43NO2.BrH/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29;/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3;1H/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+;/m0./s1

InChIKey

UZTOZXMELVQAQG-IKDVFPFSSA-N

Smiles

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)CO)C.Br