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Substance Name: 14-Anisoylaconine
RN: 121923-73-7
InChIKey: OKZRRYTYGSMPAD-SHANDMFISA-N

Note

  • Aconitum alkaloid in serum.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H47-N-O11

Molecular Weight

  • 633.7303
 
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Names and Synonyms

Results Name

  • 14-Anisoylaconine

Synonyms

  • 14-Anisoylaconine
  • 4-21-00-02903 (Beilstein Handbook Reference)
  • Aconine-14-(4-methoxybenzoate)
  • BRN 0074160

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121923-73-7

System Generated Number

  • 0121923737

Structure Descriptors

InChI

1S/C33H47NO11/c1-7-34-14-30(15-40-2)19(35)12-20(42-4)32-18-13-31(38)27(45-29(37)16-8-10-17(41-3)11-9-16)21(18)33(39,26(36)28(31)44-6)22(25(32)34)23(43-5)24(30)32/h8-11,18-28,35-36,38-39H,7,12-15H2,1-6H3/t18-,19-,20+,21-,22?,23+,24-,25?,26+,27-,28+,30+,31-,32?,33-/m1/s1

InChIKey

OKZRRYTYGSMPAD-SHANDMFISA-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)O)OC)OC)O)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 39, Pg. 379, 1991.