Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-O-Anisoyljesaconitine
RN: 134249-82-4
InChIKey: SGMHCUIZVQCKKQ-MRKLIROYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H55-N-O14

Molecular Weight

  • 809.9005
 
* 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

Results Name

  • 3-O-Anisoyljesaconitine

Synonyms

  • 3-O-Anisoyljesaconitine
  • BRN 4778394

Systematic Name

  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 3,14-di(4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 134249-82-4

System Generated Number

  • 0134249824

Structure Descriptors

InChI

1S/C43H55NO14/c1-9-44-20-40(21-50-3)28(56-38(47)23-10-14-25(51-4)15-11-23)18-29(53-6)42-27-19-41(49)36(57-39(48)24-12-16-26(52-5)17-13-24)30(27)43(58-22(2)45,35(46)37(41)55-8)31(34(42)44)32(54-7)33(40)42/h10-17,27-37,46,49H,9,18-21H2,1-8H3/t27-,28+,29-,30+,31?,32-,33+,34?,35-,36+,37-,40-,41-,42?,43+/m0/s1

InChIKey

SGMHCUIZVQCKKQ-MRKLIROYSA-N

Smiles

CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@@H]4C[C@]([C@@H]6OC(=O)c7ccc(cc7)OC)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)OC(=O)c8ccc(cc8)OC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 650ug/kg (0.65mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 39, Pg. 379, 1991.