| Chemical & Physical Properties | |
|---|---|
| CAS Number | 22465-48-1 |
| Catalog No. | 2A-9039004 |
| Chinese Name | 羟钴胺素乙酸盐 |
| Synonyms | Hydroxocobalamin acetate; Vitamin B12a acetate; HYDROXOCOBALAMIN ACETATE |
| Molecular Formula | C64H91CoN13O16P |
| Molecular Weight | 1388.39 |
| Purity | ≥95 (HPLC) |
| Melting Point | >300ºC. |
| Appearance | powder |
| Water Solubility | Water solubility: completely soluble; very slightl |
| Storage Condition | 0-10°C; store in inert gas; avoid air, heat |
| Application | Hydroxocobalamin acetate is an injectable, natural form of vitamin B12 with a favorable adverse effect profile as a dietary supplement for the treatment of vitamin B12 deficiencies, including pernicio |
| EINECS | 245-019-7 |
| PubChem ID | 329815248 |
| MDL Number | MFCD00082532 |
| SMILES | CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(C)=C3N=C(C=C4N=C(C(C)=C5[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N5[Co]OC(C)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78 |
| InChI | 1S/C62H90N13O14P.C2H4O2.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;1-2(3)4;/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,(H,3,4);/q;;+2/p-3/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 |
| InChI Key | QHSPIHUMLGFPKX-WYVZQNDMSA-K |
| NACRES Code | NA.79 |
| eCl@ss | 34058004 |
| UNSPSC | 12352205 |
| Hazard Symbols | transportation |
| MSDS | msds/39004_1_22465_48_1.pdf |
| Bioactivity | Hydroxocobalamin acetate is an injectable naturally occurring form of vitamin B12 with a favorable adverse effect profile, used as a dietary supplement in the treatment of vitamin B12 deficiency including pernicious anemia[1][2]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease Target The cobalt atom of hydroxocobalamin binds cyanide and nitric oxide (NO) and hydroxocobalamin attenuates vascular responses to NO in vitro[3]. References [1]. Cheungpasitporn W, et al. High-dose hydroxocobalamin for vasoplegic syndrome causing false blood leak alarm. Clin Kidney J. 2017 Jun;10(3):357-362. [2]. Wang H, et al. Oral vitamin B12 versus intramuscular vitamin B12 for vitamin B12 deficiency. Cochrane Database Syst Rev. 2018 Mar 15;3:CD004655. [3]. Greenberg SS, et al. Hydroxocobalamin (vitamin B12a) prevents and reverses endotoxin-induced hypotension and mortality in rodents: role of nitric oxide. J Pharmacol Exp Ther. 1995 Apr;273(1):257-65. Chemical & Physical Properties Melting Point >300ºC. Molecular Formula C64H91CoN13O16P Molecular Weight 1388.39000 Exact Mass 1387.58000 PSA 490.17000 LogP 6.62930 InChIKey KPFAAKYTRSSOQN-UVKKECPRSA-K SMILES CC(=O)[O-].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.[Co+3] |
| Use of | Hydroxocobalamin acetate is an injectable naturally occurring form of vitamin B12 with a favorable adverse effect profile, used as a dietary supplement in the treatment of vitamin B12 deficiency including pernicious anemia[1][2]. Properties Name Hydroxocobalamin Acetate Synonym More Synonyms Hydroxocobalamin Acetate Biological Activity Description Hydroxocobalamin acetate is an injectable naturally occurring form of vitamin B12 with a favorable adverse effect profile, used as a dietary supplement in the treatment of vitamin B12 deficiency including pernicious anemia[1][2]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease The cobalt atom of hydroxocobalamin binds cyanide and nitric oxide (NO) and hydroxocobalamin attenuates vascular responses to NO in vitro[3]. References [1]. Cheungpasitporn W, et al. High-dose hydroxocobalamin for vasoplegic syndrome causing false blood leak alarm. Clin Kidney J. 2017 Jun;10(3):357-362. [2]. Wang H, et al. Oral vitamin B12 versus intramuscular vitamin B12 for vitamin B12 deficiency. Cochrane Database Syst Rev. 2018 Mar 15;3:CD004655. [3]. Greenberg SS, et al. Hydroxocobalamin (vitamin B12a) prevents and reverses endotoxin-induced hypotension and mortality in rodents: role of nitric oxide. J Pharmacol Exp Ther. 1995 Apr;273(1):257-65. Chemical & Physical Properties Exact Mass 1387.58000 PSA 490.17000 LogP 6.62930 InChIKey KPFAAKYTRSSOQN-UVKKECPRSA-K |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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