Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bouvardin catechol
RN: 88426-35-1
InChIKey: BTOAVFVQMFWGNI-UHFFFAOYSA-N

Note

  • Metabolite of bouvardin; hydrogen in position ortho to hydroxy group of O-desmethylbouvardin replaced by hydroxy group.

Molecular Weight

  • 774.823
 
* 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

  • Bouvardin catechol

Synonym

  • 3-Hydroxy-O-desmethylbouvardin

Systematic Name

  • Bouvardin, 3-(3-hydroxy-N-methyl-L-tyrosine)-

Registry Numbers

CAS Registry Number

  • 88426-35-1

System Generated Number

  • 0088426351

Structure Descriptors

InChI

1S/C39H46N6O11/c1-19-34(50)41-20(2)37(53)43(4)26(15-22-7-13-28(46)30(48)17-22)36(52)42-21(3)38(54)45(6)32-33(49)24-9-11-25(12-10-24)56-31-18-23(8-14-29(31)47)16-27(35(51)40-19)44(5)39(32)55/h7-14,17-21,26-27,32-33,46-49H,15-16H2,1-6H3,(H,40,51)(H,41,50)(H,42,52)

InChIKey

BTOAVFVQMFWGNI-UHFFFAOYSA-N

Smiles

c12[C@@H]([C@@H]3C(N([C@@H](Cc4ccc(c(Oc(cc1)cc2)c4)O)C(=O)N[C@@H](C(N[C@@H](C(N([C@@H](C(N[C@@H](C(=O)N3C)C)=O)Cc1ccc(c(c1)O)O)C)=O)C)=O)C)C)=O)O