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Basic information

  • Name:
  • Cobinamide,Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)

  • Superlist Name:
  • Hydroxocobalamin
  • CAS No.:
  • 13422-51-0

  • Molecular Structure:
  • Formula:
  • C62H89CoN13O15P
  • Molecular Weight:
  • 1346.35
  • Deleted CAS:
  • 8017-22-9
  • 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;
  • EINECS:
  • 236-533-2
  • Solubility:
  • Methanol: 10 mg/mL at 20 °C, clear, dark red
  • Appearance:
  • dark red crystal or crystalline powder
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-36 Details

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Chemistry

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

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.

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.

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.

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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