(177Lu)dota-biotin
2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
Molecular Identity
(177Lu)dota-biotin
2-[4-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentylamino]hexylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
PubChem CID: 162623755
2D Structure
Properties
C32H55LuN8O8S
Molecular Formula
888.80
Molecular Weight
g/mol
888.3301
Exact Mass
Da
241
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCCCCCNCCCCCC2C3C(CS2)NC(=O)N3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Lu+3]Isomeric SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCCCCCNCCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[177Lu+3]Synonyms(5)
(177lu)dota-biotinCabiotraxetan lutetium lu-1775U8L0A8I80177LU-ST2210ST-2210 LU-177
Data from PubChem (NCBI)
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