Formula |
C21H25N3O3 |
IUPAC Name |
(7r,8r,9r)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydro-5h-imidazo[1,2-h][1,7]naphthyridin-4-ium-5-ylium-8-ol |
Molecular Mass |
367.442 g·mol−1 |
Heat of Formation |
-271.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.07 ± 1.08 D |
Volume |
442.46 Å 3 |
Surface Area |
354.29 Å 2 |
HOMO Energy |
-8.17 ± 0.55 eV |
LUMO Energy |
-0.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (7r,8r,9r)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo(1,2-h)(1,7)naphtyridin-8-ol
- soraprazan
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CAS Number(s) |
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InChIKey |
PWILYDZRJORZDR-MISYRCLQSA-N |
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Elements |
H
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O
N
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