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Substance Name: Benzilic acid, 1,3-diazaadamant-6-yl ester
RN: 102516-82-5
InChIKey: VFKSRNPUBDKBLL-UHFFFAOYSA-N

Molecular Formula

  • C22-H24-N2-O3

Molecular Weight

  • 364.443
 
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Names and Synonyms

Synonym

  • 1,3-Diaza-6-adamantyl benzilate

Systematic Name

  • Benzilic acid, 1,3-diazaadamant-6-yl ester

Registry Numbers

CAS Registry Number

  • 102516-82-5

System Generated Number

  • 0102516825

Structure Descriptors

InChI

1S/C22H24N2O3/c25-21(27-20-16-11-23-13-17(20)14-24(12-16)15-23)22(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,20,26H,11-15H2

InChIKey

VFKSRNPUBDKBLL-UHFFFAOYSA-N

Smiles

C1(C2CN3CC1CN(C2)C3)OC(C(c1ccccc1)(c1ccccc1)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11467,