Product Name

  • Name

    Hydroxocobalamin

  • EINECS 236-533-2
  • CAS No. 13422-51-0
  • Article Data10
  • CAS DataBase
  • Density
  • Solubility Methanol: 10 mg/mL at 20 °C, clear, dark red
  • Melting Point 200oC (decomposes)
  • Formula C62H89CoN13O15P
  • Boiling Point
  • Molecular Weight 1347.44
  • Flash Point
  • Transport Information
  • Appearance dark red crystal or crystalline powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13422-51-0 (Hydroxocobalamin)
  • Hazard Symbols IrritantXi
  • Synonyms Cobinamide,dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole;AlphaRedisol;Axlon;Ciplamin H;Cobalamin, hydroxo-;Cobalex;Cobalin H;Docclan;Docevita;Droxomin;Ducobee Hy;Hydrocobalamin;Hydrovit;Hydroxy vitamin B12;Hyxobamine;Neo-Betalin 12;Neo-Cytamen;Neo-Rojamin;OH-Duphar;Primabalt RP;Redisol H;Vibeden;Vitadurin;Vitamin B12a;
  • PSA 484.10000
  • LogP 6.43870

Synthetic route

aquocob(III)alamine

aquocob(III)alamine

sodium hydroxide
1310-73-2

sodium hydroxide

hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

Conditions
ConditionsYield
In water vitamin B12a reacted with NaOH in H2O;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

water-d2
7789-20-0

water-d2

acetylene
74-86-2

acetylene

vinylcobalamin-d3

vinylcobalamin-d3

Conditions
ConditionsYield
With titanium (III) citrate In water-d2 Schlenk technique; C2H2 was allowed to equilibrate for 4 h under Tris buffer in D2O (pD 9.4) and soln. of Ti(III) citrate in D2O; Co complex wasreacted with Ti(III) citrate (60 equiv.) in Tris buffer in D2O and inje cted; soln. was stirred for 1 h; extd. (phenol/CH2Cl2, 1/1); phenol extracts washed (distd. H2O); dild. with 1-butanol/CH2Cl2 (1/1); extd. (distd. H2O); lyophilized; dissolved in ammonium acetate buffer (pH 4); chromd. (buffer/MeCN, 95/5 to 70/30);85%
...Expand
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

water
7732-18-5

water

aquocob(III)alamine

aquocob(III)alamine

Conditions
ConditionsYield
With acetate or citrate buffer or aq. HClO4 In not given (N2); dissolving hydroxocobalamin in buffer or aq. HClO4;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

9-(2-chloroethyl)adenine
19255-48-2

9-(2-chloroethyl)adenine

(adenylethyl)cobalamine
59209-78-8

(adenylethyl)cobalamine

Conditions
ConditionsYield
With NaBH4 In ethanol; water Soln. of NaBH4 in water was added to a soln. of hydroxocobalamine in water and 9-(2-chloroethyl)adenine in ethanol, mixt. was stirred for 30 min under N2;; excess NaBH4 was quenched with acetone, excess of the ligand was filtered; soln. was desalted on an Amberlite XAD-2 column; product was purified with a SP-Sephadex column, eluent - H2O; eluate was concd., product was pptd. by addn. of acetone;;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

9-(3-chloropropyl)-9H-purin-6-amine
19255-49-3

9-(3-chloropropyl)-9H-purin-6-amine

(adenylpropyl)cobalamine
34502-77-7

(adenylpropyl)cobalamine

Conditions
ConditionsYield
With NaBH4 In ethanol; water Soln. of NaBH4 in water was added to a soln. of hydroxocobalamine in water and 9-(3-chloropropyl)adenine in ethanol, mixt. was stirred for 30 min under N2;; excess NaBH4 was quenched with acetone, excess of the ligand was filtered; soln. was desalted on an Amberlite XAD-2 column; product was purified with a SP-Sephadex column, eluent - H2O; eluate was concd., product was pptd. by addn. of acetone;;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

N9-(4-chlorobutyl)adenine
69293-19-2

N9-(4-chlorobutyl)adenine

(adehylbutyl)cobalamine
21806-90-6

(adehylbutyl)cobalamine

Conditions
ConditionsYield
With NaBH4 In ethanol; water Soln. of NaBH4 in water was added to a soln. of hydroxocobalamine in water and 9-(4-chlorobutyl)adenine in ethanol, mixt. was stirred for 30 min under N2;; excess NaBH4 was quenched with acetone, excess of the ligand was filtered; soln. was desalted on an Amberlite XAD-2 column; product was purified with a SP-Sephadex column, eluent - H2O; eluate was concd., product was pptd. by addn. of acetone;;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

N9-(5-chloropentyl)adenine
53359-09-4

N9-(5-chloropentyl)adenine

(adenylpentyl)cobalamine
56226-23-4

(adenylpentyl)cobalamine

Conditions
ConditionsYield
With NaBH4 In ethanol; water Soln. of NaBH4 in water was added to a soln. of hydroxocobalamine in water and 9-(5-chloropentyl)adenine in ethanol, mixt. was stirred for 30 min under N2;; excess NaBH4 was quenched with acetone, excess of the ligand was filtered; soln. was desalted on an Amberlite XAD-2 column; product was purified with a SP-Sephadex column, eluent - H2O; eluate was concd., product was pptd. by addn. of acetone;;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

4-bromo-but-1-ene-2,3-dicarboxylic acid
56575-56-5

4-bromo-but-1-ene-2,3-dicarboxylic acid

Co(C19H6N4(CH3)8(C2H4C(O)NH2)3(CH2C(O)NH2)3(C2H4C(O)NHC2H3(CH3)PO4(C4H4O(CH2OH)(OH)(C7H3N2(CH3)2))))(CH2CH(COOH)2CCH2)

Co(C19H6N4(CH3)8(C2H4C(O)NH2)3(CH2C(O)NH2)3(C2H4C(O)NHC2H3(CH3)PO4(C4H4O(CH2OH)(OH)(C7H3N2(CH3)2))))(CH2CH(COOH)2CCH2)

Conditions
ConditionsYield
With zinc In methanol complex reduced with Zn dust in anaerobic MeOH contg. 10% NH4I in a centrifuge tube, injection of soln. of organic compd.;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

dimethyl β-bromomethylitaconate
56575-59-8

dimethyl β-bromomethylitaconate

Co(C19H6N4(CH3)8(C2H4C(O)NH2)3(CH2C(O)NH2)3(C2H4C(O)NHC2H3(CH3)PO4(C4H4O(CH2OH)(OH)(C7H3N2(CH3)2))))(CH2CH(COOCH3)2CCH2)

Co(C19H6N4(CH3)8(C2H4C(O)NH2)3(CH2C(O)NH2)3(C2H4C(O)NHC2H3(CH3)PO4(C4H4O(CH2OH)(OH)(C7H3N2(CH3)2))))(CH2CH(COOCH3)2CCH2)

Conditions
ConditionsYield
With zinc In methanol complex reduced with Zn dust in anaerobic MeOH contg. 10% NH4I in a centrifuge tube, injection of organic compd.;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

chloroacetylene
593-63-5

chloroacetylene

cis-chlorovinylcobalamin

cis-chlorovinylcobalamin

Conditions
ConditionsYield
With NaBH4; Co nitrate In water Schlenk technique; aq. soln. of NaBH4 was added to aq. soln. of hydroxocobalamin, Co nitrate under Ar; ClCCH was distd. at 25°C for 2 h; extd. (phenol/CH2Cl2, 1/1); phenol extracts washed (distd. H2O); dild. with 1-butanol/CH2Cl2 (1/1); extd. (distd. H2O); lyophilized; dissolved in ammonium acetate buffer (pH 4); chromd. (Vydec C18 protein and peptidecolumn; buffer/MeCN, 95/5 to 70/30);
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

acetylene
74-86-2

acetylene

vinylcobalamin

vinylcobalamin

Conditions
ConditionsYield
With NaBH4; Co nitrate In water Schlenk technique; aq. soln. of NaBH4 was added to aq. soln. of hydroxocobalamin, Co nitrate under Ar; HCCH was added at 25°C for 2 h; extd. (phenol/CH2Cl2, 1/1); phenol extracts washed (distd. H2O); dild. with 1-butanol/CH2Cl2 (1/1); extd. (distd. H2O); lyophilized; dissolved in ammonium acetate buffer (pH 4); chromd. (Vydec C18 protein and peptidecolumn; buffer/MeCN, 95/5 to 70/30);
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

(Z)-1-{N-methyl-N-[6-(N-methylammoniohexyl)amino]}diazen-1-ium-1,2-diolate

(Z)-1-{N-methyl-N-[6-(N-methylammoniohexyl)amino]}diazen-1-ium-1,2-diolate

nitrosylcobalamin

nitrosylcobalamin

Conditions
ConditionsYield
In H2O Co complex react. with (CH3NH2C6H12)N(CH3)N(O)NO(1+) at 25°C. (pH=10.8);
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

1-(N,N-diethylamino)-diazen-1-ium-1,2-dienolate

1-(N,N-diethylamino)-diazen-1-ium-1,2-dienolate

nitrosylcobalamin

nitrosylcobalamin

Conditions
ConditionsYield
In H2O byproducts: N-nitrosodiethylamine; Co complex react. with 1.2 equiv. of (C2H5)2NN(O)NO(1-) at 25°C. in alkaline soln.;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

A

cob(II)alamine

cob(II)alamine

C62H88CoN13O16PS

C62H88CoN13O16PS

Conditions
ConditionsYield
With sodium dithionite; ascorbic acid In water at 25℃; Kinetics; Acidic conditions;
hydroxocob(III)alamin
13422-51-0

hydroxocob(III)alamin

C62H88CoN13O16PS

C62H88CoN13O16PS

Conditions
ConditionsYield
With sodium dithionite; sodium hydroxide In water at 25℃; Kinetics;

Hydroxocobalamin Chemical Properties

EINECS: 236-534-8
Empirical Formula: C62H89CoN13O15P
Molecular Weight: 1346.3551
Nominal Mass: 1345 Da
Average Mass: 1346.3551 Da
Monoisotopic Mass: 1345.56707 Da
Storage tempreture: 2-8 °C
Solubility: Methanol: 10 mg/mL at 20 °C, clear, dark red
Structure of Hydroxocobalamin (CAS NO.13422-51-0):
                                
InChI
InChI=1/C62H90N13O14P.Co.H2O/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);;1H2/q;+3;/p-3/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;;/m0../s1/rC62H90CoN13O15P/c1-29-20-39-40(21-30(29)2)75(28-71-39)57-52(85)53(41(27-77)89-57)91-92(87,88)90-31(3)26-70-49(84)18-19-59(8)37(22-46(67)81)56-62(11)61(10,25-48(69)83)36(14-17-45(66)80)51(74-62)32(4)54-60(9,24-47(68)82)34(12-15-43(64)78)38(72-54)23-42-58(6,7)35(13-16-44(65)79)50(73-42)33(5)55(59)76(56)63-86/h20-21,23,28,31,34-37,41,52-53,56-57,77,85-86H,12-19,22,24-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)(H,87,88)/q+1/p-1/b42-23-,54-32-,55-33-/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-/m0/s1
Smiles
N1([C@@H]2[C@@]3([C@]([C@H](CCC(N)=O)C(=N3)C(=C3[C@]([C@H](CCC(N)=O)C(=N3)C=C3N=C(C(=C1[C@@]([C@H]2CC(N)=O)(CCC(NC[C@@H](OP(O[C@@H]1[C@H](O[C@@H]([C@@H]1O)n1c2c(cc(C)c(c2)C)nc1)CO)(=O)[O-])C)=O)C)C)[C@H](C3(C)C)CCC(N)=O)(CC(N)=O)C)C)(CC(N)=O)C)C)[Co+]O

Hydroxocobalamin Uses

 Hydroxocobalamin (CAS NO.13422-51-0) is used in many pharmaceuticals, supplements and as food additive; and it  has also been used in the treatment of cyanide poisoning. Hydroxocobalamin Injection USP, are used to rectify the following causes of B12 deficiency.

Hydroxocobalamin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 50mg/kg (50mg/kg)   Drugs in Japan Vol. -, Pg. 867, 1990.

Hydroxocobalamin Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

Hydroxocobalamin Specification

 Hydroxocobalamin , its cas register number is 13422-51-0. It also can be called Vitamin B12b ; Ciplamin H ; and AlphaRedisol . It is a basic member of the cobalamin family of compounds, and  is not a form normally found in the human body, but is easily converted in the body to usable coenzyme forms of B12. It is a term that refers to a group of compounds called cobalamins that are available in the human body in a variety of mostly interconvertible forms. Hydroxocobalamin (CAS NO.13422-51-0)  is the form of B12 produced by many bacteria which are used to produce the vitamin commercially.

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