Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Thiooratin
RN: 59785-18-1
InChIKey: LIYFBDGGGCTZEW-NHBDOSFLSA-N

Note

  • Orotic acid moiety important.

Molecular Formula

  • C24-H34-N8-O4-S2.C5-H4-N2-O4

Molecular Weight

  • 718.8132
 
* 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

  • Thiooratin

Synonym

  • Thiaminedisulfide monoorotate

Systematic Name

  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, compd. with N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide) (1:1)

Registry Numbers

CAS Registry Number

  • 59785-18-1

System Generated Number

  • 0059785181

Molecular Formulas

Molecular Formula

  • C24-H34-N8-O4-S2.C5-H4-N2-O4

Molecular Formula Fragments

  • C24-H34-N8-O4-S2
  • C5-H4-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34N8O4S2.C5H4N2O4/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;8-3-1-2(4(9)10)6-5(11)7-3/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);1H,(H,9,10)(H2,6,7,8,11)/b21-15-,22-16+;

InChIKey

LIYFBDGGGCTZEW-NHBDOSFLSA-N

Smiles

Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCO)/SS/C(=C(/C)\N(Cc2cnc(nc2N)C)C=O)/CCO)/C.c1c([nH]c(=O)[nH]c1=O)C(=O)O