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Brucine
Brucine / CAS : 5892-11-5
| Appearance | - | UN | 1570 6.1/PG 1 |
| HS | 0 | DG Class | 6.1 |
| Synonyms | 10,11-Dimethoxystrychnine; Brucinum; 2,3-Dimethoxystrychnine; (-)-Brucine; l-Brucine; 2,3-Dimethoxystrychnidin-10-one; Strychnidin-10-one, 2,3-Dimethoxy-; 10,11-Dimethystrychnine; Brucine, Anhydrous; Brucina; Brucin; Brucine Alkaloid; Dimethoxy Strychnine; Brucine Hydrate; Bruzin; 2,3-Dimethoxy-Strychnine; Strychnine, 2,3-Dimethoxy-; 10,11-Dimethoxy Strychnine; Polyamide Fibers; Anhydrous Brucine; Bisdesmethylbrucin; (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-Dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-Methanoindolo[3,2,1-ij]Oxepino[2,3,4-de]Pyrrolo[2,3-h]Quinoline-14-one; Brucine, Anhydrous, 98%; Brucine - Casmi2016 Category 1 - Challenge 9; Brucine, European Pharmacopoeia (EP) Reference Standard; (1R,11S,18S,20R,21R,22S)-4,5-Dimethoxy-12-oxa-8,17-Diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]Tetracosa-2(7),3,5,14-Tetraen-9-one | ||
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Properties
Summary
Formula
C23H26N2O4
Molecular Mass
394.46400
Exact Mass
394.18900
PSA
51.24000
Logp
2.11260
IUPAC
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
SMILES
COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC
Attribute classification
Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds
Chemical and Physical Properties
Melting Point
174-179ºC
Boiling Point
689.9ºC/760 mmHg
Flash Point
371ºC
Export information
HS Code
0
UN No.
1570 6.1/PG 1
DG-Class
6.1
Risk Code
R26/28-52/53-36/37/38-26/27/28
Safety Label
T+
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