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Cyanocobalamin-b-carboxylic Acid

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For Research Use Only | Not For Clinical Use
CATAPS38218778
CAS38218-77-8
Synonyms32-Carboxycyanocobalamin, CBC 195, Cobinic acid-acdeg-pentamide, cyanide phosphate, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole, inner salt (7CI), Cyanocobalamin-b-carboxylic acid,Cobinic acid-acdeg-pentamide, Co-(cyano-κC)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), Cobinic acid-acdeg-pentamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
Molecular Weight1356.35
Molecular FormulaC63H87CoN13O15P
Canonical SMILESC[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)O)[Co+]468(C#N)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N
InChIInChI=1S/C62H89N12O15P.CN.Co/c1-29-20-39-40(21-30(29)2)74(28-69-39)57-52(84)53(41(27-75)87-57)89-90(85,86)88-31(3)26-68-48(81)18-19-59(8)37(22-45(65)78)56-62(11)61(10,25-47(67)80)36(14-17-49(82)83)51(73-62)33(5)55-60(9,24-46(66)79)34(12-15-43(63)76)38(70-55)23-42-58(6,7)35(13-16-44(64)77)50(71-42)32(4)54(59)72-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,75,84H,12-19,22,24-27H2,1-11H3,(H14,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2
Accurate Mass1355.5514
FormatNeat
SubcategoryChiral molecules, Oligosaccharides, Vitamins and derivatives, Vitamins
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CATSizeShippingStorage Conditions
APS38218778-10MG 10MG Room Temperature -20°C Freezer Inquiry
APS38218778-1MG 1MG Room Temperature -20°C Freezer Inquiry
APS38218778-2.5MG 2.5MG Room Temperature -20°C Freezer Inquiry
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