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Substance Name: 3-Heptanol, 4-cyclohexyl-6-(dimethylamino)-4-phenyl-
RN: 67227-08-1
InChIKey: TXRCXWJKZCSLSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H35-N-O

Molecular Weight

  • 317.513
 
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Names and Synonyms

Synonyms

  • 3-13-00-01863 (Beilstein Handbook Reference)
  • 4-Cyclohexyl-6-(dimethylamino)-4-phenyl-3-heptanol
  • BRN 3368052

Systematic Name

  • 3-Heptanol, 4-cyclohexyl-6-(dimethylamino)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 67227-08-1

System Generated Number

  • 0067227081

Structure Descriptors

InChI

1S/C21H35NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,17,19-20,23H,5,7,10-11,14-16H2,1-4H3

InChIKey

TXRCXWJKZCSLSE-UHFFFAOYSA-N

Smiles

c1([C@@](C2CCCCC2)(C[C@@H](N(C)C)C)[C@@H](CC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 103mg/kg (103mg/kg)   Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949.