Name: Vitamin B12-[dimethylbenzimidazole-13C7]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-000288

Molecular Formula: C56[13C]7H89CoN14O14P

Molecular Weight: 1362.31

Chemical Structure

Vitamin B12-[dimethylbenzimidazole-13C7]

Description	Vitamin B12-[dimethylbenzimidazole-13C7] is the labelled analogue of Vitamin B12,which can be used as a stable isotope internal standard for accurate data interpretation in specific biological samples.
Synonyms	Vitamin B12-13C7; Vitamin B12-(dimethylbenzimidazole-13C7)
IUPAC Name	cobalt(2+);[(2R,3S,4R,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(3S,4Z,7S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,9,10,12,17-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl phosphate;cyanide
Related CAS	68-19-9 (unlabelled)
Canonical SMILES	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5=NC4=C(C6=NC(CC7=NC(=C(C8=NC5(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)C(C6CCC(=O)N)(C)C)C)CC(=O)N)C)O.[C-]#N.[Co+2]
InChI	InChI=1S/C62H90N13O14P.CN.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;/h20-21,28,31,34-37,41-42,52-53,57,76,84H,12-19,22-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);;/q;-1;+2/p-1/b54-32-,55-33-;;/t31?,34?,35-,36-,37?,41-,42?,52-,53-,57-,59+,60+,61+,62+;;/m1../s1/i20+1,21+1,28+1,29+1,30+1,39+1,40+1;;
InChI Key	FTKDYBHYJJLMND-SDKDZEEISA-M
Purity	95% (CP); 99% atom 13C
Storage	Store at -20°C