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Molecular Structure of Cyanocobalamin (CAS NO.68-19-9):
Molecular Formula: C63H88CoN14O14P
Molecular Weight: 1355.3652
IUPAC Name: Cobalt(2+); formonitrile; 3-[2,7,18-tris(2-amino-2-oxoethyl)-17-[3-[2-[[5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropylamino]-3-oxopropyl]-3,13-bis(3-imino-3-oxidopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanimidate
Synonyms of Cyanocobalamin (CAS NO.68-19-9): Cyanocobalamin [INN:BAN:JAN] ; Vitamin B12 ; CaloMist ; Chromagen ; Geriplex ; Tolfrinic ; Troph-Iron ; Trophite ; Trophite + Iron
CAS NO: 68-19-9
Classification Code: Drug / Therapeutic Agent ; Growth Substances ; Micronutrients ; Mutation data ; Reproductive Effect ; Vitamin B Complex ; Vitamin [hematopoietic] ; Vitamins
Melting point: >300°C
H bond acceptors: 28
H bond donors: 16
Freely Rotating Bonds: 29
Polar Surface Area: 487.66 Å2
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | oral | > 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 114, 1992. | |
mouse | LD50 | intravenous | 2gm/kg (2000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967. | |
mouse | LDLo | intraperitoneal | 1364ug/kg (1.364mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archives of Pathology. Vol. 49, Pg. 278, 1950. |
mouse | LDLo | subcutaneous | 2727ug/kg (2.727mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: OTHER CHANGES | Archives of Pathology. Vol. 49, Pg. 278, 1950. |
Cobalt and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Poison by subcutaneous route. Moderately toxic by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of POx and NOx. See also COBALT COMPOUNDS.
Safety Statements of Cyanocobalamin (CAS NO.68-19-9): 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: GG3750000
F: 3-8-10
NIOSH REL: (Cobalt) Insufficient evidence for recommending limit
Cyanocobalamin , its cas register number is 68-19-9. It also can be called Cyano-5,6-dimethylbenzimidazole-cobalamin ; and Vitamin B12 .