Basic Information |
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Product Name: | HYDROXOCOBALAMIN HYDROCHLORIDE |
CAS: | 13422-51-0 ;13422-52-1 ;58288-50-9 ;78091-12-0 |
English Synonyms: | AQUOCOBALAMIN CHLORIDE ; HYDROXOCOBALAMIN ; HYDROXOCOBALAMINE ; HYDROXOCOBALAMIN HYDROCHLORIDE ; VITAMIN B12 ; HYDROXOCOBALAMIN HCL ; OH-CBL HCL ; ACETATOCOBALAMIN HYDROCHLORIDE ; VITAMIN B12A HYDROCHLORIDE ; HYDROXOCOBALAMINE HYDROCHLORIDE ; VITAMIN B12B ; VITAMIN B12A HCL ; VITAMIN B12A ; HYDROXYCOBALAMINE HYDROCHLORIDE ; HYDROXOCOBALAMIN(VITAMINB12) ; ALPHA-(5,6-DIMETHYLBENZIMIDAZOLYL)HYDROXOCOBAMIDE HYDROCHLORIDE |
MDL Number.: | MFCD11044398 |
H bond acceptor: | 28 |
H bond donor: | 10 |
Smile: | Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\N5[Co+]O)/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.Cl |
InChi: | InChI=1S/C62H90N13O14P.ClH.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);1H;;1H2/q;;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1 |
InChiKey: | InChIKey=KEHNCSYXYMMUCO-BXSGNKEGSA-K |
Property |
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Comments: | FOR DRUG ANALYSIS STORAGE TEMPERATURE: 2-8 DEG C UNSPSC: 51000000 WGK: 3 |
Specification: | ANALYTICAL STANDARD |
Safety information |
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WGK Germany: | 3 |
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