rel-1,5-Dimethyl (1R,2S,4R,5S)-3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

CAS Registry Number®

42165-92-4
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CAS Name

rel-1,5-Dimethyl (1R,2S,4R,5S)-3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

Molecular Formula

C23H26N4O5

Molecular Mass

438.48

Cite this Page

rel-1,5-Dimethyl (1R,2S,4R,5S)-3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=253304-60-8 (retrieved 2024-04-20) (CAS RN: 42165-92-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C23H26N4O5/c1-26-13-22(20(29)31-3)17(15-9-5-7-11-24-15)27(2)18(16-10-6-8-12-25-16)23(14-26,19(22)28)21(30)32-4/h5-12,17-18H,13-14H2,1-4H3/t17-,18+,22-,23+

InChIKey

InChIKey=NXOACBKUEYYEQP-SGNKAXLRNA-N

SMILES

C(OC)(=O)[C@@]12[C@@H](N(C)[C@@H]([C@@](C(OC)=O)(C1=O)CN(C)C2)C3=CC=CC=N3)C4=CC=CC=N4

Canonical SMILES

O=C(OC)C12C(=O)C(C(=O)OC)(CN(C)C1)C(C3=NC=CC=C3)N(C)C2C4=NC=CC=C4

Other Names for this Substance

  • 3,7-Diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, 3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-, 1,5-dimethyl ester, (1R,2S,4R,5S)-rel-
  • 3,7-Diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, 3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-, dimethyl ester, (endo,endo)-
  • 3,7-Diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, 3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-, dimethyl ester, (1R,2S,4R,5S)-rel-
  • rel-1,5-Dimethyl (1R,2S,4R,5S)-3,7-dimethyl-9-oxo-2,4-di-2-pyridinyl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
  • HZ 2 (opioid)

Deleted or Replaced CAS Registry Numbers

253304-60-8, 1108208-76-9, 1415316-42-5

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