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Mecobalamin chemical structure, C63H91CoN13O14P
2D chemical structure

Key facts

What buyers check first

Formula
C63H91CoN13O14P
Molar mass
1,344.41 g/mol
HS code
293626
Category
Nucleosides and nucleotides

What is Mecobalamin?

Plain description, key identifiers and synonyms

Mecobalamin is a chemical substance with the molecular formula C63H91CoN13O14P and a molar mass of 1,344.41 g/mol. The IUPAC name is carbanide, cobalt(3+), [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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-21-id-3-yl]propanoylamino]propan-2-yl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
carbanide, cobalt(3+), [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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-21-id-3-yl]propanoylamino]propan-2-yl phosphate
Molecular formula
C63H91CoN13O14P
InChIKey
ZFLASALABLFSNM-UHFFFAOYSA-L
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
Canonical SMILES
CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[CH3-].[Co+3]
Isomeric 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]

Synonyms

  • methylcobalamin

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,344.41 g/molcalc.
Exact mass
1,343.5878 Dacalc.
LogP (octanol/water)
3.76calc.
Topological polar surface area
464.9 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
26calc.
Heavy atoms
92calc.
Rings
8calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
15calc.
Components
3calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCC1CC2NC1=CC1=NC(=CC3=NC(=CC4=NC2CC4)CC3)CC1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1

O=C(CCC1CC2NC1=CC1=NC(=CC3=NC(=CC4=NC2CC4)CC3)CC1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1

8 rings, 48 atoms.

158 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Mecobalamin suppliers

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All 39 suppliers
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Mecobalamin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mecobalamin is traded under.

HS 2936.26Indicative HS code

Vitamin B12 and its derivatives

World exports in 2024
$306M
+16.8% vs 2023, imports $308M
2019 to 2024
Top exporters
  1. China47.1%
  2. France * partner reported12.0%
  3. United States10.1%
Top importers
  1. United States23.0%
  2. India * partner reported9.8%
  3. Netherlands7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Mecobalamin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mecobalamin, based on the data on this page

What is Mecobalamin?

Mecobalamin is a chemical substance with the molecular formula C63H91CoN13O14P and a molar mass of 1,344.41 g/mol.

What is the molecular formula and weight of Mecobalamin?

The molecular formula of Mecobalamin is C63H91CoN13O14P and its molar mass is 1,344.41 g/mol.

What is Mecobalamin used for?

Known uses and roles of Mecobalamin include vitamins and supplements in pharmaceuticals, vitamins, minerals and nutrients in food and beverage and feed vitamins in animal feed and nutrition.

Is Mecobalamin hazardous?

No GHS hazard classification for Mecobalamin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Mecobalamin?

Mecobalamin is usually classified under HS code 293626 (Vitamin B12 and its derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mecobalamin?

CompoundList lists 39 suppliers of Mecobalamin in China, India, Pakistan, Bangladesh and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Mecobalamin in India?

9 suppliers in India list Mecobalamin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Mecobalamin?

Suppliers quote Mecobalamin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mecobalamin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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