13422-52-1Aquacobalamin Reference Standard

● Under Development

Catalogue No.:	VE0028924
CAS No.:	13422-52-1
Mol. Formula:	C62H91CoN13O16P
Mol. Weight:	1364.4 g/mol

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Additional information on CAS 13422-52-1

Parent drug

Cobalamin / Aquacobalamin

IUPAC Name

cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;hydroxide;hydrate

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/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.O.[OH-].[Co+3]

InChI

InChI=1S/C62H90N13O14P.Co.2H2O/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);;2*1H2/q;+3;;/p-3

Description

Aquacobalamin Reference Standard, CAS 13422-52-1, is a characterized reference material provided for analytical laboratories and research organizations. Supplied with a comprehensive certificate of analysis, it is documented for identity and quality by relevant analytical techniques such as HPLC, NMR, mass spectrometry, and FT-IR, together with other applicable quality attributes including melting point, loss on drying, specific rotation, solubility, and other physicochemical parameters where applicable. This reference standard is suitable for analytical laboratory use requiring consistent and well-documented reference material.