T89605
Tropinone
99%
Synonym(s):
8-Methyl-8-azabicyclo[3.2.1]octan-3-one
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About This Item
Empirical Formula (Hill Notation):
C8H13NO
CAS Number:
Molecular Weight:
139.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-530-6
Beilstein/REAXYS Number:
2329
MDL number:
Assay:
99%
InChI
1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChI key
QQXLDOJGLXJCSE-KNVOCYPGSA-N
SMILES string
CN1[C@@H]2CC[C@H]1CC(=O)C2
assay
99%
bp
113 °C/25 mmHg (lit.)
Quality Level
mp
40-44 °C (lit.)
storage temp.
2-8°C
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Related Categories
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
194.0 °F - closed cup
flash_point_c
90 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
涉药品监管产品
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K Nakajima et al.
Proceedings of the National Academy of Sciences of the United States of America, 95(9), 4876-4881 (1998-06-06)
A pair of tropinone reductases (TRs) share 64% of the same amino acid residues and belong to the short-chain dehydrogenase/reductase family. In the synthesis of tropane alkaloids in several medicinal plants, the TRs reduce a carbonyl group of an alkaloid
Kathrin Laura Kohnen et al.
Plant & cell physiology, 59(1), 107-118 (2017-11-03)
Tropane alkaloids (TAs), especially hyoscyamine and scopolamine, are important precursors for anticholinergic and antispasmodic drugs. Hyoscyamine and scopolamine are currently obtained at commercial scale from hybrid crosses of Duboisia myoporoides × Duboisia leichhardtii plants. In this study, we present a
Yvonne Scholl et al.
Phytochemistry, 62(3), 325-332 (2003-03-07)
Calystegines are nortropane alkaloids bearing between three and five hydroxyl groups in various positions. [15N]Tropinone was administered to root cultures of Calystegia sepium and the incorporation into calystegines was followed. Increase of label in calystegines was measured by one-dimensional 15N
Capturing enzyme structure prior to reaction initiation: tropinone reductase-II-substrate complexes.
Atsuko Yamashita et al.
Biochemistry, 42(19), 5566-5573 (2003-05-14)
To understand the catalytic mechanism of an enzyme, it is crucial to determine the crystallographic structures corresponding to the individual reaction steps. Here, we report two crystal structures of enzyme-substrate complexes prior to reaction initiation: tropinone reductase-II (TR-II)-NADPH and TR-II-NADPH-tropinone
Emilio J Cocinero et al.
Physical chemistry chemical physics : PCCP, 12(23), 6076-6083 (2010-04-21)
The intrinsic conformational and structural properties of the tropinone azabicycle have been investigated in a supersonic jet expansion using rotational spectroscopy. The spectrum revealed the presence of equatorial and axial conformers originated by the inversion of the N-methyl group, with
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