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.Computed value |
|---|---|
| Exact mass | 1,343.5878 Dacalc.Computed value |
| LogP (octanol/water) | 3.76calc.Computed value |
| Topological polar surface area | 464.9 Ųcalc.Computed value |
| Hydrogen bond donors | 9calc.Computed value |
| Hydrogen bond acceptors | 18calc.Computed value |
| Rotatable bonds | 26calc.Computed value |
| Heavy atoms | 92calc.Computed value |
| Rings | 8calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.62calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 15calc.Computed value |
| Components | 3calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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 scaffoldSafety 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
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- China, Xingtai ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- India, Mumbai ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- Spain, Beniel ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- India, New Delhi ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- Nepal, Nepal ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- Pakistan, Karachi ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- Bangladesh, Dhaka ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
- Bangladesh, Dhaka ManufacturerUnclaimed profileMecobalaminGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
39 suppliers in 10 countries
- China13
- India9
- Pakistan4
- Bangladesh3
- United States2
- Brazil1
- and 4 more countries
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Mecobalamin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
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.
Vitamin B12 and its derivatives
- China47.1%
- France * partner reported12.0%
- United States10.1%
- United States23.0%
- India * partner reported9.8%
- Netherlands7.9%
* Partner reported figures, a lower bound.
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?
What is the molecular formula and weight of Mecobalamin?
What is Mecobalamin used for?
Is Mecobalamin hazardous?
What is the HS code of Mecobalamin?
Where can I buy Mecobalamin?
Where can I buy Mecobalamin in India?
What is the price of Mecobalamin?
Guides for buyers
Practical guides that help when you source, ship or handle Mecobalamin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
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