Name | coenzyme B12 |
Synonyms | COBAMIDE COBAMAMIDE Cobamamide COENZYME B12 coenzyme B12 DMBC COENZYME adenosyl cobalamine coenzyme B12 crystalline 5'-deoxyadenosylcobalamin 5'-DEOXYADENOSYLCOBALAMINE DIMETHYLBENZIMIDAZOLYLCOBAMIDE COENZYME, 5,6- |
CAS | 13870-90-1 |
EINECS | 237-627-6 |
InChI | InChI=1/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2 |
Molecular Formula | C72H100CoN18O17P |
Molar Mass | 1579.58 |
Water Solubility | 26g/L(24 ºC) |
Solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated) |
Appearance | Solid |
Color | Red to Very Dark Red |
Merck | 13,2476 |
BRN | 4122932 |
pKa | 3.5(at 25℃) |
Storage Condition | -20°C |
Stability | Hygroscopic |
Physical and Chemical Properties | Red needle crystal or crystalline powder, odorless, tasteless, hygroscopic. Mp>300 ℃, mp210-220 ℃ (color depth), specific optical rotation [α]23656-59 ° (water), maximum absorption at 361nm wavelength. Soluble in water (1:80), ethanol (1:180) and acetic acid, insoluble in chloroform, ether and acetone. LD50 (rat, intraperitoneal) 1364 mg/kg. |
Use | Vitamins |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
RTECS | GG3800000 |
FLUKA BRAND F CODES | 8 |
HS Code | 2936260000 |
Toxicity | LD50 oral in guinea pig: 5gm/kg |