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Substance Name: Acetic acid, (7-(acetyloxy)dodecahydro-1,4b,8,8-tetramethyl-10-oxo-2(1H)- phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, hydrochloride, (1R-(1-alpha,2E,4a-alpha,4b-beta,7-beta,8a-alpha,10a-beta))-
RN: 59426-18-5
InChIKey: ZZKWVSCNZDLOEH-LSJACRKWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C26-H41-N-O5.Cl-H

Molecular Weight

  • 484.0728
 
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Names and Synonyms

Synonym

  • 3-Acetylcassaine hydrochloride

Systematic Name

  • Acetic acid, (7-(acetyloxy)dodecahydro-1,4b,8,8-tetramethyl-10-oxo-2(1H)- phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, hydrochloride, (1R-(1-alpha,2E,4a-alpha,4b-beta,7-beta,8a-alpha,10a-beta))-

Registry Numbers

CAS Registry Number

  • 59426-18-5

System Generated Number

  • 0059426185

Molecular Formulas

Molecular Formula

  • C26-H41-N-O5.Cl-H

Molecular Formula Fragments

  • C26-H41-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H41NO5.ClH/c1-16-18(14-23(30)31-13-12-27(6)7)8-9-19-24(16)20(29)15-21-25(3,4)22(32-17(2)28)10-11-26(19,21)5;/h14,16,19,21-22,24H,8-13,15H2,1-7H3;1H/b18-14+;

InChIKey

ZZKWVSCNZDLOEH-LSJACRKWSA-N

Smiles

CC\1C2C(CC/C1=C\C(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)OC(=O)C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1281ug/kg (1.281mg/kg)   Journal of the American Pharmaceutical Association. Vol. 27, Pg. 9, 1938.