237868

Brucine sulfate heptahydrate

ACS reagent

• Synonym(s): 2,3-Dimethoxystrychnidin-10-one sulfate heptahydrate
• Linear Formula: (C₂₃H₂₆N₂O₄)₂ · H₂SO₄ · 7H₂O
• CAS Number: 60583-39-3
• Molecular Weight: 1013.11
• EC Number: 225-432-9
• MDL number: MFCD00150159
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854274
• NACRES: NA.21

Properties

• grade: ACS reagent
• Quality Level: 200
• form: solid
• optical activity: [α]22/D −24°, c = 1 in H₂O
• ign. residue: ≤0.1%
• loss: ≤13.0% loss on drying
• mp: 180 °C (dec.) (lit.)
• SMILES string: [H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].OS(O)(=O)=O.[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@@H]7CC(=CCO1)[C@H](C[C@@H]57)[C@]2([H])[C@]36[H].[H][C@@]89CC(=O)N%10c%11cc(OC)c(OC)cc%11[C@]%12%13CC[N@@H]%14CC(=CCO8)[C@H](C[C@@H]%12%14)[C@]9([H])[C@]%10%13[H]
• InChI: 1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
• InChI key: PPJIVFYMRNHHTJ-JYGVWXPPSA-N

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H300 + H330,H412
• pcodes: P260 - P264 - P271 - P273 - P284 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Chronic 3
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable