Molecular Identity
Cyanocobalamin
PubChem CID: 166596686
2D Structure
Properties
C63H88CoN14O14P
Molecular Formula
1355.40
Molecular Weight
g/mol
1354.5674
Exact Mass
Da
497
TPSA
May have limited oral absorption
12
H-Bond Donors
22
H-Bond Acceptors
3160
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1C)[N+](=CN2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=N)[O-])N7)CCC(=N)[O-])(C)CC(=O)N)C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C]#N.[Co+2]Isomeric SMILES
SMILES: CC1=CC2=C(C=C1C)[N+](=CN2)[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/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=N)[O-])/N7)CCC(=N)[O-])(C)CC(=O)N)/C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C]#N.[Co+2]Synonyms(20)
CHEBI:17439CianocobalaminaCyanocobalaminumvitaminum b12Coco12DODEX INJECTABLERefChem:5713cyanocobalamine injectionB03BA01VITA-JEC B12 3000CYANOCOBALAMIN COMPONENT OF DEPINARCYANOCOBALAMIN COMPONENT OF DICOPAC KITCYANOCOBALAMIN COMPONENT OF RUBRATOPE-60 KITCYANOCOBALAMIN (CONSTITUENT OF CYANOCOBALAMIN)200-680-0
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cyanocobalamin
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