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Substance Name: 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate
RN: 102504-18-7
InChIKey: CUGFLMJGOOFJET-BTJKTKAUSA-N

Molecular Formula

  • C22-H25-N-O4.C4-H4-O4

Molecular Weight

  • 483.5141
 
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Names and Synonyms

Synonym

  • 9-Methyl-3-oxa-9-azabicyclo(3.3.1)nonan-7-ol, benzilic acid ester, maleate

Systematic Names

  • 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate
  • Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 9-methyl-3-oxa-9-azabicyclo(3.3.1)non-7-yl ester, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 102504-18-7

System Generated Number

  • 0102504187

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.C4-H4-O4

Molecular Formula Fragments

  • C22-H25-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.C4H4O4/c1-23-18-12-20(13-19(23)15-26-14-18)27-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;5-3(6)1-2-4(7)8/h2-11,18-20,25H,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

CUGFLMJGOOFJET-BTJKTKAUSA-N

Smiles

CN1C2CC(CC1COC2)OC(=O)C(c3ccccc3)(c4ccccc4)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04745,