Cyanocobalamin Impurity 68

cas: 23388-02-5 — see every product listed under this CAS number, including other names

Cyanocobalamin Impurity 68 (CAS 23388-02-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-V307768
cas23388-02-5
sizeon request
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[(2R)-1-[3-[(1Z,4S,5S,6R,7R,8R,9R,10E,13S,15Z)-5,8-bis(2-amino-2-oxoethyl)-4,13,18-tris(3-amino-3-oxopropyl)-2,5,6,9,11,14,14,22-octamethyl-20-oxo-19,23,24,26-tetraza-25-azanidahexacyclo[15.5.1.13,6.17,10.112,15.018,22]hexacosa-1,3(26),10,12(24),15,17(23)-hexaen-9-yl]propanoylamino]propan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate;cobalt(3+);cyanide (CAS 23388-02-5) is a chemical compound with the molecular formula C63H86CoN14O14P and a molecular weight of 1353.3 g/mol. IUPAC name: [(2R)-1-[3-[(1Z,4S,5S,6R,7R,8R,9R,10E,13S,15Z)-5,8-bis(2-amino-2-oxoethyl)-4,13,18-tris(3-amino-3-oxopropyl)-2,5,6,9,11,14,14,22-octamethyl-20-oxo-19,23,24,26-tetraza-25-azanidahexacyclo[15.5.1.13,6.17,10.112,15.018,22]hexacosa-1,3(26),10,12(24),15,17(23)-hexaen-9-yl]propanoylamino]propan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate;cobalt(3+);cyanide. InChIKey: PQOCGDLYVXNQKQ-UHKGZVQOSA-L.

Identity
Molecular formulaC63H86CoN14O14P
Molecular weight1353.3 g/mol
IUPAC name[(2R)-1-[3-[(1Z,4S,5S,6R,7R,8R,9R,10E,13S,15Z)-5,8-bis(2-amino-2-oxoethyl)-4,13,18-tris(3-amino-3-oxopropyl)-2,5,6,9,11,14,14,22-octamethyl-20-oxo-19,23,24,26-tetraza-25-azanidahexacyclo[15.5.1.13,6.17,10.112,15.018,22]hexacosa-1,3(26),10,12(24),15,17(23)-hexaen-9-yl]propanoylamino]propan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate;cobalt(3+);cyanide
InChIKeyPQOCGDLYVXNQKQ-UHKGZVQOSA-L
SMILESCC1=CC2=C(C=C1C)N(C=N2)[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/C8(CC(=O)NC8(C(=N7)/C=C\9/C([C@@H](C(=N9)/C(=C4/[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)C)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

Computed by PubChem (NCBI)

Synonyms: Vitamin B-12 C-Lactam (Technical Grade)

Also listed as

Cyanocobalamin Impurity 4 (Vitamin B12 Lactam) Chemat Brand CAS 23388-02-5
Vitamin B-12 C-Lactam (Technical Grade) TRC CAS 23388-02-5