Molecules/(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamate
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamate
[(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] sulfamate
Molecular Identity
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamate
[(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] sulfamate
PubChem CID: 9912519
2D Structure
Properties
C24H27N3O5S
Molecular Formula
469.60
Molecular Weight
g/mol
469.1671
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
889
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CC(=O)N(C2=O)CC4=CN=CC=C4)CCC5=C3C=CC(=C5)OS(=O)(=O)NIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)N(C2=O)CC4=CN=CC=C4)CCC5=C3C=CC(=C5)OS(=O)(=O)NSynonyms(13)
(4as,4br,10bs,12as)-12a-Methyl-1,3-Dioxo-2-(Pyridin-3-Ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydronaphtho[2,1-F]isoquinolin-8-Yl Sulfamate(1R,2S,7S,10S)-7-methyl-4,6-dioxo-5-(pyridin-3-ylmethyl)-5-azatetracyclo(8.8.0.02,?.011,1?)octadeca-11(16),12,14-trien-14-yl sulfamate(1R,2S,7S,10S)-7-methyl-4,6-dioxo-5-(pyridin-3-ylmethyl)-5-azatetracyclo[8.8.0.02,?.011,1?]octadeca-11(16),12,14-trien-14-yl sulfamate(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamateRefChem:403162CHEMBL12353803c7pBDBM50121192DB08418PD004419NS00069724Q27097625POF
Data from PubChem (NCBI)
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Molecular Structure
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamate
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Drug Network
Trials and conditions connected to (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho(2,1-f)isoquinolin-8-yl sulfamate
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