CAS No.13422-55-4,Mecobalamin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13422-55-4
Name:	Mecobalamin
Article Data:	1

Formula:	C₆₃H₉₁CoN₁₃O₁₄P
Molecular Weight:	1344.46
Synonyms:	Cobinamide,Co-methyl deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-esterwith 5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole;Algobaz;Co-Methylcobalamin;Cobalamin, Co-methyl-;Hitocobamin M;MeCbl;Methycobal;Methyl cobalamine;Methyl vitamin B12;Methyl-5,6-dimethylbenzimidazolylcobalamin;Methyl-B12;Methylcob(III)alamin;Methylcobalamine;
EINECS:	236-535-3
Melting Point:	>190°C (dec.)
Solubility:	Partially soluble in cold water, hot water.
Appearance:	dark red crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	463.87000
LogP:	7.19930

Synthetic route

: 68-19-9
cyanocobalamin

: 25596-24-1
trimethyloxosulfonium bromide

: 13422-55-4
CH3Cb1

Conditions

Conditions	Yield
Stage #1: cyanocobalamin With sodium tetrahydroborate; cobalt(II) chloride In water; butanone at 30 - 50℃; for 1.66667 - 2.5h; Stage #2: trimethyloxosulfonium bromide In water; butanone at 15 - 50℃;	85%

: 68-19-9
cyanocobalamin

: 25596-24-1
trimethyloxosulfonium bromide

: 13422-55-4
CH3Cb1

B: 75-18-3
dimethylsulfide

Conditions

Conditions	Yield
With sodium tetrahydroborate; cobalt(II) chloride In water; butanone at 15 - 40℃;

...Expand

: 13422-55-4
CH3Cb1

: cis-diamminediaquaplatinum(II) dinitrate

: CoC19H6N4(CH3)(CH3)8(CH2CH2CONH2)3(CH2CONH2)3CH2CH2CONHCH2CH(CH3)O4PC5H6(OH)2OC7H3N2(CH3)2Pt(NH3)2OH2(2+)

Conditions

Conditions	Yield
In water Kinetics; large excess of Pt-complex incubated at 50, and 80+/-0.5°C with cobalamin;

Raw Materials

25596-24-1

68-19-9

Downstream Products

13422-52-1

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Specification

The Mecobalamin, with the CAS registry number 13422-55-4,is also known as Methyl-5,6-dimethylbenzimidazolylcobalamin; Vitamin B12. It belongs to the product categories of Vitamins;Vitamin Ingredients. This chemical's molecular formula is C₆₃H₉₁CoN₁₃O₁₄P and molecular weight is 1344.38.Its EINECS number is 236-535-3. What's more,Its systematic name is Mecobalamin. It is a Dark Red Crystalline Powder which is one of the biologically active forms of vitamin B12. Differing only by the substitution of a methyl for the cyano group. Coenzyme required in the biosynthesis of methionine. Vitamin (hematopoietic).The Mecobalamin is irritating to eyes, respiratory system and skin. When you use it ,wear suitable protective clothing and avoid contact with skin and eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Physical properties about Mecobalamin are: (1)#H bond acceptors: 27; (2)#H bond donors: 16; (3)#Freely Rotating Bonds: 29.

You can still convert the following datas into molecular structure:
(1)SMILES:Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)N6[Co+]C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O;
(2)Std. InChI:InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1;
(3)Std. InChIKey:JEWJRMKHSMTXPP-WYVZQNDMSA-L.

Uses of Methylcobalamin:
Methylcobalamin is a cobalamin used in the treatment of peripheral neuropathy, diabetic neuropathy, and as a preliminary treatment for Amyotrophic lateral sclerosis. It is aslo used in treating diseases of vitamin B12 deficiency (such as pernicious anemia), or diseases of effective B12 deficiency, such as vitamin B12 metabolic pathway pathologies.

The toxicity data of Mecobalamin are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD	intravenous	> 200mg/kg (200mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 3939, 1988.
mouse	LD50	intraperitoneal	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
mouse	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rabbit	LD50	intravenous	> 75mg/kg (75mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat	LD50	intraperitoneal	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.
rat	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	Kiso to Rinsho. Clinical Report. Vol. 4, Pg. 529, 1970.