(1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde
CAS Registry Number®
114580-45-9
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CAS Name
(1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehydeMolecular Formula
C20H21N3O9Molecular Mass
447.40Cite this Page
(1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=114580-45-9 (retrieved ) (CAS RN: 114580-45-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H21N3O9/c1-9(25)23-15-6-22-14-4-12(7-24)5-16(30-10(2)26)17(14)13(8-29-19(21)28)20(32-22,18(15)23)31-11(3)27/h4-5,7,13,15,18H,6,8H2,1-3H3,(H2,21,28)/t13-,15-,18-,20-,23?/m0/s1
InChIKey
InChIKey=FBXPCVIKIBWXAE-ZJZHAWLTSA-N
SMILES
O(C(C)=O)[C@]12[C@@]3([C@@](N3C(C)=O)(C[N@@](O1)C=4C([C@@H]2COC(N)=O)=C(OC(C)=O)C=C(C=O)C4)[H])[H]
Canonical SMILES
O=CC1=CC(OC(=O)C)=C2C(=C1)N3OC(OC(=O)C)(C2COC(=O)N)C4N(C(=O)C)C4C3
Other Names for this Substance
- 3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-, (1aS,3S,8R,9S,9aS)-
- 3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-, [1aS-(1aα,3α,8α,9α,9aα)]-
- (1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde
- FK 973
Deleted or Replaced CAS Registry Numbers
108814-64-8, 138125-70-9
