1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester

CAS Registry Number®

6874-80-2
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CAS Name

1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester

Molecular Formula

C20H27N3O3

Molecular Mass

357.45

Cite this Page

1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6874-80-2 (retrieved 2024-05-18) (CAS RN: 6874-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13-,14-,15-,17+,18-/m0/s1

InChIKey

InChIKey=YFRYJFMFQOBOSY-YDRHNJASSA-N

SMILES

O(C(=O)C1=CC=CN1)[C@@H]2C[C@]3([C@]4(C[C@@](CN3CC2)([C@@]5(N(C4)C(=O)CCC5)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CCN2CC3CC(CN4C(=O)CCCC43)C2C1)C5=CC=CN5

Other Names for this Substance

  • 1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester
  • Calpurnine
  • 1H-Pyrrole-2-carboxylic acid, dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, [2S-(2α,7β,7aβ,14β,14aα)]-
  • 1H-Pyrrole-2-carboxylic acid, dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, (2S,7S,7aR,14S,14aS)-
  • 7,14-Methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocine, 1H-pyrrole-2-carboxylic acid deriv.

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Deleted or Replaced CAS Registry Numbers

12706-37-5, 25020-97-7, 53861-63-5

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