Cobamamide | CAS No. 13870-90-1

Cobamamide

Basic Information

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CAS Number

13870-90-1

Molecular Formula

C72H100CoN18O17P

Molecular Weight

1579.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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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(=N6)C(=C7C(C(C(=N7)C=C8C(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.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]

InChI

InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6+,7+,10+;/m11./s1

InChIKey

OAJLVMGLJZXSGX-SLAFOUTOSA-L

LogP

6.19200

pKa

3.5(at 25℃)

Complexity

3730

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对光线敏感

Synonyms & References

English

Vitamin B12 coenzyme
DMBC coenzyme
Coenzyme B12;Cobamamide;AdoCbl
Calomide
coenzyme B12
Cobamamide
adenosylcobalamin
AKOS025311252
13870-90-1
5'-Deoxyadenosylcobalamine
Cobalamine coenzyme
Adenosyl cobalamine
MFCD00135609
5-Deoxyadenosylcobalamin
coenzyme B12 crystalline
adenosyl cobalamine
5'-deoxyadenosylcobalamin
ADENOSYLCOBALAMINE(COENZYME B12)(AS)
ADENOSYLCOBALAMINE(COENZYME B12)(P)
Adenosylcobalamin
Coenzyme?B12
Deoxyadenosylcobalamin
lm176
calomide
COBAMIDE
funacomide
dibencozide
dbccoenzyme
DMBC COENZYME
870C901
(2S,3S,4R,5R)-2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-di

MDL Number

MFCD00135609

Customs Code

2936260000

FAQ

What are the physical and chemical properties of Cobamamide (CAS: 13870-90-1)?

Cobamamide is a white crystalline solid with a molecular weight of approximately 240.27 g/mol. It is practically insoluble in water but soluble in organic solvents such as ethanol. Cobamamide is relatively stable under normal conditions but can react with strong acids or bases. Its chemical properties include its ability to form complexes with cobalt ions.

How is Cobamamide (CAS: 13870-90-1) typically synthesized?

Cobamamide is typically synthesized from vitamin B12, also known as cobalamin, by reacting it with an amine in the presence of a suitable solvent. The yield is generally around 80-90%, with high selectivity for the desired cobamamide product.

What industries use Cobamamide (CAS: 13870-90-1)?

Cobamamide is primarily used in the pharmaceutical industry for the production of vitamin B12 analogs. It also has applications in polymer synthesis as an additive, in the development of sensors for detecting cobalt ions, and in the production of certain semiconductors.

What precautions should be taken when handling Cobamamide (CAS: 13870-90-1)?

When handling Cobamamide, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be carefully cleaned up using suitable absorbent materials, and the area should be well ventilated. For detailed safety information, refer to the Safety Data Sheet (SDS).