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Substance Name: 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), d-tartrate
RN: 102504-19-8
InChIKey: HPRVZXYTOWSBTN-IOHZUATHSA-N

Molecular Formula

  • C22-H25-N-O4.C4-H6-O6

Molecular Weight

  • 499.5131
 
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Names and Synonyms

Synonyms

  • 9-Methyl-3-oxa-9-azabicyclo(3.3.1)nonan-7-ol benzilate (ester) d-tartrate
  • cis-Benzilic acid ester of 9-methyl-3-oxagranatin-7 beta-ol, d-tartrate

Systematic Name

  • 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), d-tartrate

Registry Numbers

CAS Registry Number

  • 102504-19-8

System Generated Number

  • 0102504198

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.C4-H6-O6

Molecular Formula Fragments

  • C22-H25-N-O4
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29NO9/c1-27-18-12-20(13-19(27)15-34-14-18)35-25(33)26(16-8-4-2-5-9-16,17-10-6-3-7-11-17)36-24(32)22(29)21(28)23(30)31/h2-11,18-22,28-29H,12-15H2,1H3,(H,30,31)/t18?,19?,20?,21-,22-/m0/s1

InChIKey

HPRVZXYTOWSBTN-IOHZUATHSA-N

Smiles

CN1C2CC(CC1COC2)OC(=O)C(c3ccccc3)(c4ccccc4)OC(=O)[C@H]([C@@H](C(=O)O)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#04746,