(3aS,4R,4aR,6R,7S,9S,13bS,13cS)-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-4,6-methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile

CAS Registry Number®

82423-05-0

CAS Name

(3aS,4R,4aR,6R,7S,9S,13bS,13cS)-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-4,6-methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile

Molecular Formula

C22H26N4O5

Molecular Mass

426.47

Cite this Page

(3aS,4R,4aR,6R,7S,9S,13bS,13cS)-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-4,6-methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82423-05-0 (retrieved 2024-11-08) (CAS RN: 82423-05-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H26N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27H,4-6,8H2,1-3H3/t10-,11-,12-,13-,16+,17+,18+,22+/m1/s1

InChIKey

InChIKey=KDWXMIJUXUSUMZ-OATCYBTRSA-N

SMILES

C(O)[C@H]1N2[C@@]3([C@](C4=C1C(=O)C(OC)=C(C)C4=O)(N5[C@]([C@]6([C@@]3(N(C)[C@@]([C@H]2C#N)(C6)[H])[H])[H])(OCC5)[H])[H])[H]

Canonical SMILES

N#CC1N2C(C=3C(=O)C(OC)=C(C(=O)C3C4N5CCOC5C6CC1N(C)C6C24)C)CO

Other Names for this Substance

  • 4,6-Methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-, (3aS,4R,4aR,6R,7S,9S,13bS,13cS)-
  • 4,6-Methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-, [3aS-(3aα,4α,4aβ,6α,7β,9α,13bβ,13cβ)]-
  • (3aS,4R,4aR,6R,7S,9S,13bS,13cS)-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-4,6-methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile
  • Cyanonaphthyridinomycin
  • Cyanocycline A

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