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Substance Name: 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-(2-(2,2,4-trimethyl-1-pyrrolidinyl)ethyl)-
RN: 1676-24-0
InChIKey: CEDKAQMVBJYYBM-UHFFFAOYSA-N

Molecular Formula

  • C18-H30-N2-O

Molecular Weight

  • 290.448
 
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Names and Synonyms

Synonyms

  • 1-(2-(2,2,4-Trimethyl-1-pyrrolidinyl)ethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one
  • 5-21-07-00244 (Beilstein Handbook Reference)
  • BRN 1540492

Systematic Name

  • 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-(2-(2,2,4-trimethyl-1-pyrrolidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 1676-24-0

System Generated Number

  • 0001676240

Structure Descriptors

InChI

1S/C18H30N2O/c1-13-9-15(3)17(21)20(16(4)10-13)8-7-19-12-14(2)11-18(19,5)6/h9-10,14-15H,7-8,11-12H2,1-6H3

InChIKey

CEDKAQMVBJYYBM-UHFFFAOYSA-N

Smiles

C1([N@@](CCN2C(=CC(C)=C[C@@H](C2=O)C)C)C[C@@H](C)C1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 771, 1963.