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Substance Name: Tubulosine
RN: 2632-29-3
UNII: 112A6Z7SN5
InChIKey: JRVWIILYWSBUMC-PRUVNFMMSA-N

Note

  • Indole derivative of main alkaloids of ipecac.

Molecular Formula

  • C29-H37-N3-O3

Molecular Weight

  • 475.629
 
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Names and Synonyms

Name of Substance

  • Tubulosine

Synonyms

  • 10,11-Dimethoxytubulosanol
  • Marckine
  • NSC 131547
  • Tubulosine
  • UNII-112A6Z7SN5

Systematic Names

  • 10,11-Dimethoxytubulosan-8'-ol
  • Tubulosan-8'-ol, 10,11-dimethoxy- (9CI)
  • Tubulosine (8CI)

Registry Numbers

CAS Registry Number

  • 2632-29-3

FDA UNII

  • 112A6Z7SN5

System Generated Number

  • 0002632293

Structure Descriptors

InChI

1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1

InChIKey

JRVWIILYWSBUMC-PRUVNFMMSA-N

Smiles

c12[nH]c3ccc(cc3c1CCN[C@@H]2C[C@H]1C[C@H]2c3c(cc(c(c3)OC)OC)CC[N@@]2C[C@@H]1CC)O