Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Fluor-vigantoletten 1000
RN: 58542-37-3
InChIKey: YOVMUQCEJWCJIA-YCSPVOOSSA-M

Notes

  • Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.
  • Used to prevent rickets; contains 1000 equivalents of vitamin D3 & 0.25 mg of fluoride.

Molecular Formula

  • C27-H44-O.F-Na

Molecular Weight

  • 426.6316
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Fluor-vigantoletten 1000

Synonym

  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-, mixt. with sodium fluoride

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-, mixt. with sodium fluoride (naf)

Registry Numbers

CAS Registry Number

  • 58542-37-3

System Generated Number

  • 0058542373

Molecular Formulas

Molecular Formula

  • C27-H44-O.F-Na

Molecular Formula Fragments

  • C27-H44-O
  • COMPONENT
  • F-Na

Structure Descriptors

InChI

1S/C27H44O.FH.Na/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3;;/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3;1H;/q;;+1/p-1/b22-12+,23-13-;;/t21-,24-,25-,26+,27-;;/m1../s1

InChIKey

YOVMUQCEJWCJIA-YCSPVOOSSA-M

Smiles

[F-].[Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](O)CCC3=C)\CCC[C@]12C