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Home/Compounds/API/Aquacob(III)alamin
C62H91CoN13O16P
1364.4 g/mol
API

Aquocobalamin

CAS13422-52-1EC236-534-8
Category
API
Compound Class
Organometallic
Primary Use
Pharmaceutical Raw Material

Aquocobalamin is a form of vitamin B12 used as an active pharmaceutical ingredient. It is a cobalt-containing coordination compound with a complex, highly functionalized structure featuring multiple amide groups, aromatic rings, and a salt-hydrate form.

pharmaceutical raw material for vitamin B12 formulationsresearch compound for biochemical studieslaboratory reagent in pharmaceutical manufacturing

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongSame Parent

Hydroxocobalamin hydrochloride

CAS59461-30-2

pharmaceutical raw material

ReferenceSame Category

Tolcapone

CAS134308-13-7

pharmaceutical raw material

ReferenceSame Category

Actinonin

CAS13434-13-4

pharmaceutical raw material

ReferenceSame Category

Zinc ascorbate

CAS134343-96-7

pharmaceutical raw material

ReferenceSame Category

Seocalcitol

CAS134404-52-7

pharmaceutical raw material

Referencestereoisomer of

Methylcobalamin

CAS13422-55-4

pharmaceutical raw material

Referencestereoisomer of

Cobamamide

CAS13870-90-1

pharmaceutical raw material

Referencestereoisomer of

Hydroxocobalamin sulfate

CAS167223-03-2

pharmaceutical raw material

Identifiers
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

InChIKey

WBSXYJYELWQLCJ-UHFFFAOYSA-K

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]

Synonyms (3)
  • Aquacobalamin
  • Aquocobalamin