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Mecobalamin

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Mecobalamin / CAS : 13422-55-4

Appearance Dark red crystalline powder UN 0
HS 29362600 DG Class 0
Synonyms Methylcobalamin; Cobalt-Methylcobalamin; Cobinamide,Cobalt-Methylderivative,Hydroxide,Dihydrogenphosphate(Ester); Methyl-5,6-Dimethylbenzimidazolylcobalamin; Vitamin B12; Vitamina B12
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Properties

Summary

Formula
C63H91CoN13O14P
Molecular Mass
1344.38000
Exact Mass
1343.59000
PSA
463.87000
Logp
7.19930
IUPAC
carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate
SMILES
[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
API & Intermediate > Vitamins And Minerals Medicines

Chemical and Physical Properties

Melting Point
>190°C
Density
0.9600
Appearance
Dark red crystalline powder

Export information

HS Code
29362600
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R36/37/38
Safety Label
Xi

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