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Methylcobalamin

CAT: 0013-GTR19163809-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163809-02Size:100 mg
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Description
Methylcobalamin a cobalamin, is a form of vitamin B12. (In Vitro) :Methylcobalamin (CH3-B12) is a cobalamin, a form of vitamin B12. It differs from cyanocobalamin in that the cyanide is replaced by a methyl group. Methylcobalamin (CH3-B12) features an octahedral cobalt (III) centre. Methylcobalamin (CH3-B12) can be obtained as bright red crystals. From the perspective of coordination chemistry, Methylcobalamin (CH3-B12) is notable as a rare example of a compound that contains metal-alkyl bonds. Methylcobalamin (CH3-B12) is equivalent physiologically to vitamin B12, and can be used to prevent or treat pathology arising from a lack of vitamin B12 (vitamin B12 deficiency), such as pernicious anemia. Methylcobalamin (CH3-B12) is also used in the treatment of peripheral neuropathy, diabetic neuropathy, and as a preliminary treatment for amyotrophic lateral sclerosis. From Wikipedia.
CAS Number
13422-55-4
Product Name Alternative
Algobaz, Cobaday, Cobalt-methylcobalamin, Cobamet, Cobametin
Purity
>98% (HPLC)
Solubility
Water: 10mM
Smiles
[CH3-].[Co+3].C[C@@H] (CNC (=O) CC[C@]1 (C) [C@@H] (CC (=O) N) [C@H]2[N-]/C/1=C (/C) \C3=N\C (=C/C4=N\C (=C (\C) /C5=N[C@]2 (C) [C@@] (C) (CC (=O) N) [C@@H]5CCC (=O) N) \[C@@] (C) (CC (=O) N) [C@@H]4CCC (=O) N) \C (C) (C) [C@@H]3CCC (=O) N) OP (=O) ([O-]) O[C@H]6[C@@H] (O) [C@H] (O[C@@H]6CO) n7cnc8cc (C) c (C) cc78
Molecular Formula
C63H91CoN13O14P
Molecular Weight
1344.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Cobinamide, cobalt-methyl derivative, hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole

Chemical Information

CID 10898559

See also: Methylcobalamin (annotation moved to).

CAS Number13422-55-4
PubChem CID10898559
IUPAC Namecarbanide;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
Molecular FormulaC63H91CoN13O14P
Molecular Weight1344.4
Topological Polar Surface Area452
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count20
Rotatable Bond Count26
Heavy Atom Count92
Formal Charge0
Complexity3150
SMILES
[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]
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;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey
ZFLASALABLFSNM-WYVZQNDMSA-L
Chemical Structure
2D Structure
2D structure of CID 10898559
CAS: 13422-55-4
CID: 10898559
Formula: C63H91CoN13O14P
MW: 1344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1344.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count20
Rotatable Bond Count26
Exact Mass1343.587800
Monoisotopic Mass1343.587800
Topological Polar Surface Area452 Ų
Heavy Atom Count92
Formal Charge0
Complexity3150
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B0586-01Methylcobalamin
HY-W127737-01Methylcobalamin (hydrate)
GV9033-1gMethylcobalamin hydrate
HY-B0586R-01Methylcobalamin (Standard)
TMID-0060-01Methylcobalamin-13C-d3
AR-V06756-01Methylcobalamin Impurity 16
AR-V06754-01Methylcobalamin Impurity 14
AR-V06749-01Methylcobalamin Impurity 9
RM-C151213-01Methylcobalamin Impurity 13

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