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Substance Name: Indaconitine
RN: 4491-19-4
UNII: HNC9MLB3BL
InChIKey: PHDZNMWTZQPAEW-IOZYTHHVSA-N

Molecular Formula

  • C34-H47-N-O10

Molecular Weight

  • 629.7423
 
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Names and Synonyms

Results Name

  • Indaconitine

Name of Substance

  • Indaconitine

Synonyms

  • 15-Deoxyaconitine
  • 5-21-06-00308 (Beilstein Handbook Reference)
  • Acetylbenzoylpseudaconine
  • Acetylbenzoylpseudoaconine
  • BRN 0074036
  • Indaconitine
  • UNII-HNC9MLB3BL

Systematic Name

  • Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 4491-19-4

FDA UNII

  • HNC9MLB3BL

Other Registry Number

  • 857370-52-6

System Generated Number

  • 0004491194

Structure Descriptors

InChI

1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1

InChIKey

PHDZNMWTZQPAEW-IOZYTHHVSA-N

Smiles

CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]23)[C@@H]14)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730ug/kg (0.73mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.
mouse LD50 intravenous 470ug/kg (0.47mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.
rat LDLo intravenous 666ug/kg (0.666mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.