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Substance Name: Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-
RN: 69920-52-1
InChIKey: KHIMBCVYVVXYKZ-LFIBNONCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O4

Molecular Weight

  • 345.4363
 
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Names and Synonyms

Synonym

  • 6-(1,3-Benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)cyclohexanol

Systematic Name

  • Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-(4-morpholinylmethyl)-

Registry Numbers

CAS Registry Number

  • 69920-52-1

System Generated Number

  • 0069920521

Structure Descriptors

InChI

1S/C20H27NO4/c1-20(13-21-7-9-23-10-8-21)6-2-3-16(19(20)22)11-15-4-5-17-18(12-15)25-14-24-17/h4-5,11-12,19,22H,2-3,6-10,13-14H2,1H3/b16-11+

InChIKey

KHIMBCVYVVXYKZ-LFIBNONCSA-N

Smiles

CC1(CCC/C(=C\c2ccc3c(c2)OCO3)/C1O)CN4CCOCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2833880,