Methylcobalamin

CAT: 1568-C10613-02Size: 1 gDry Ice: YesHazardous: No

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CAT#:1568-C10613-02Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

13422-55-4

Synonyms

Mecobalamin, Vancomin, Methycobal, Cobametin

SKU

C10613-25mg

Target

Vitamin

Applications

Metabolism

Smiles

[CH3-].CC1=CC2=C (C=C1C) N (C=N2) 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) [N-]6) CCC (=O) N) (C) CC (=O) N) C) CC (=O) N) C) O.[Co+3]

Molecular Formula

C63H91CoN13O14P

Additionnal Information

Methylcobalamin (Mecobalamin, Vancomin, Methycobal, Cobametin) is one active form of vitamin B12 which can directly participate in homocysteine metabolism. It is used to treat some nutritional diseases and other diseases in clinic, such as Alzheimer's disease and rheumatoid arthritis.

Storage Conditions

2 years -80 in solvent

Chemical Information

CID 10898559

See also: Methylcobalamin (annotation moved to).

CAS Number	13422-55-4
PubChem CID	10898559
IUPAC Name	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
Molecular Formula	C63H91CoN13O14P
Molecular Weight	1344.4
Topological Polar Surface Area	452
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	26
Heavy Atom Count	92
Formal Charge	0
Complexity	3150

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

CAS: 13422-55-4

CID: 10898559

Formula: C63H91CoN13O14P

MW: 1344.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1344.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	26
Exact Mass	1343.587800
Monoisotopic Mass	1343.587800
Topological Polar Surface Area	452 Å²
Heavy Atom Count	92
Formal Charge	0
Complexity	3150
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Alternative Products

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

Methylcobalamin

Chemical Information

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