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Substance Name: Minnelide
RN: 1254702-87-8
UNII: 1CIV2UMO40
InChIKey: ZHBJMVNZRZUQEP-KIKMAQITSA-L

Note

  • Has antineoplastic activity.

Molecular Formula

  • C21-H25-O10-P.2Na

Molecular Weight

  • 514.3725
 
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Names and Synonyms

Name of Substance

  • Minnelide

Synonyms

  • 14-O-Phosphonooxymethyltriptolide disodium salt
  • Minnelide
  • Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-C)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-8b-methyl-6a-(1-methylethyl)-6-((phosphonooxy)methoxy)-, sodium salt (1:2), (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-
  • UNII-1CIV2UMO40

Registry Numbers

CAS Registry Number

  • 1254702-87-8

FDA UNII

  • 1CIV2UMO40

System Generated Number

  • 1254702878

Structure Descriptors

InChI

1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1

InChIKey

ZHBJMVNZRZUQEP-KIKMAQITSA-L

Smiles

[Na+].[Na+].CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OCOP(=O)([O-])[O-]