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Substance Name: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)
RN: 58019-92-4
InChIKey: CWNUMNCFXZZXKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H41-N-O3

Molecular Weight

  • 439.6359
 
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Names and Synonyms

Synonym

  • BRN 1183007

Systematic Name

  • 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 58019-92-4

System Generated Number

  • 0058019924

Structure Descriptors

InChI

1S/C28H41NO3/c1-8-10-11-12-19(3)20(4)22-16-25(31-21(5)30)27-23-18-29(14-9-2)15-13-24(23)28(6,7)32-26(27)17-22/h9,16-17,19-20H,2,8,10-15,18H2,1,3-7H3

InChIKey

CWNUMNCFXZZXKT-UHFFFAOYSA-N

Smiles

CCCCCC(C)C(C)c1cc2c(c(c1)OC(=O)C)C3=C(CCN(C3)CC=C)C(O2)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: ATAXIA
Journal of Medicinal Chemistry. Vol. 19, Pg. 445, 1976.