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Substance Name: Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester
RN: 66928-83-4
InChIKey: WDKWTDOLPMRMMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O3

Molecular Weight

  • 353.4593
 
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Names and Synonyms

Synonyms

  • 1-Methylhexahydro-1H-azepin-2-ylmethyl benzilate
  • 1H-Azepine-2-methanol, hexahydro-1-methyl-, benzilate (ester)
  • BRN 1498147

Systematic Name

  • Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester

Registry Numbers

CAS Registry Number

  • 66928-83-4

System Generated Number

  • 0066928834

Structure Descriptors

InChI

1S/C22H27NO3/c1-23-16-10-4-9-15-20(23)17-26-21(24)22(25,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20,25H,4,9-10,15-17H2,1H3

InChIKey

WDKWTDOLPMRMMC-UHFFFAOYSA-N

Smiles

CN1CCCCCC1COC(=O)C(c2ccccc2)(c3ccccc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: EXCITEMENT
Pharmaceutical Chemistry Journal Vol. 12, Pg. 472, 1978.