(4S,4aS,6S,8aS)-6-[(1R)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide
CAS Registry Number®
769895-23-0
CAS Name
(4S,4aS,6S,8aS)-6-[(1R)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamideMolecular Formula
C22H23ClN2O8Molecular Mass
478.88Cite this Page
(4S,4aS,6S,8aS)-6-[(1R)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=769895-23-0 (retrieved ) (CAS RN: 769895-23-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21+,22-/m0/s1
InChIKey
InChIKey=GFSLIMZISCAANG-CUJCIORFSA-N
SMILES
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@@](CC2=O)([C@]3(C)C=4C(C(=O)O3)=C(O)C=CC4Cl)[H])[H]
Canonical SMILES
O=C1OC(C=2C(Cl)=CC=C(O)C12)(C)C3CC(=O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4C3
Other Names for this Substance
- 2-Naphthalenecarboxamide, 6-[(1R)-7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, (4S,4aS,6S,8aS)-
- 2-Naphthalenecarboxamide, 6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, [4S-[4α,4aα,6β(S*),8aα]]-
- (4S,4aS,6S,8aS)-6-[(1R)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide
