Formula |
C25H25N5O4 |
IUPAC Name |
3-isocyanato-6-[4-(2-oxo-1-piperidyl)phenyl]-1-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-1-ium-3-ylium-7-one; methanone |
Molecular Mass |
459.497 g·mol−1 |
Heat of Formation |
-268.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.48 ± 1.08 D |
Volume |
517.46 Å 3 |
Surface Area |
455.82 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
2.35 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- apixaban (usan/inn)
- d03213
- gg2
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CAS Number(s) |
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InChIKey |
QNZCBYKSOIHPEH-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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