Aconitine

• Catalog No.: 01570
• CAS Number: 302-27-2
• M. F.: C34H47NO11
• M. W.: 645.73708
• Purity: ≥95.0% (HPLC)

SYNONYMS

• Title: 乌头碱
• IUPAC name: (2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16R,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^2,^5.0^1,^1^0.0^3,^8.0^1^3,^1^7]nonadecan-4-yl benzoate
• IUPAC Traditional name: (2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16R,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^2,^5.0^1,^1^0.0^3,^8.0^1^3,^1^7]nonadecan-4-yl benzoate
• Synonyms: Acetylbenzoylaconine; 乙酰苯甲酰阿康碱

DATABASE IDS

• EC Number: 206-121-7
• PubChem SID: 24844894
• MDL Number: MFCD00082375
• Beilstein Number: 74608
• CAS Number: 302-27-2

PROPERTIES

• Empirical Formula (Hill Notation): C34H47NO11
• Grade: purum
• Purity: ≥95.0% (HPLC)
• Quality: crystallized
• Melting Point: 200-205 °C (dec.)
• Optical Rotation: [α]20/D +20±4°, c = 1% in chloroform
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H330
• European Hazard Symbols: Highly toxic (T+)
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• GHS Precautionary statements: P260-P264-P284-P310
• RID/ADR: UN 1544 6.1/PG 1
• Risk Statements: 26/28
• RTECS: AR5960000
• Safety Statements: 24-45
• Hazard Class: 6.1
• UN Number: 1544
• Packing Group: 1
• German water hazard class: 2