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Methylcobalamin

CAT: 0013-GTR19171419-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171419-01Size:100 mg
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Description
Methylcobalamin, an active form of vitamin B12, directly participates in homocysteine metabolism. It is utilized in research models for neurological disorders like Alzheimer's disease and inflammatory conditions such as rheumatoid arthritis, in both in vitro and in vivo studies.
CAS Number
13422-55-4
Product Name Alternative
Inhibitor, EndogenousMetabolite, Endogenous Metabolite, inhibit, Methycobal, Methylcobalamin, Methyl vitamin B12, Cobametin, CH3-B12, Brassinolide, Vitamin, Vancomin
Field of Research
Metabolism Research
Purity
≥98% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (1.49 mM) ; DMSO:16.32 mg/mL (12.14 mM)
Smiles
[CH3-][Co+3]1234[N]=5[C@@]6 (C) [C@]7 ([N-]1C ([C@@] (C) ([C@H]7CC (N) =O) CCC (=O) NC[C@@H] (C) OP (=O) ([O-]) O[C@H]8C (O) ([C@@H] (N9C=[N]2C=%10C9=CC (C) =C (C) C%10) O[C@@H]8CO) [H]) =C (C) C%11=[N]3C (=CC%12=[N]4C (=C (C) C5[C@@H] (CCC (N) =O) [C@@]6 (CC (N) =O) C) [C@] (CC (N) =O) (C) [C@@H]%12CCC (N) =O) C (C) (C) [C@@H]%11CCC (N) =O) [H]
Molecular Formula
C63H91CoN13O14P
Molecular Weight
1344.38
Storage Conditions
-20°C
Notes
For research use only.

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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