Gadopiclenol
2-[3,9-bis[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+)
Molecular Identity
Gadopiclenol
2-[3,9-bis[1-carboxylato-4-(2,3-dihydroxypropylamino)-4-oxobutyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]-5-(2,3-dihydroxypropylamino)-5-oxopentanoate;gadolinium(3+)
PubChem CID: 16223405
2D Structure
Properties
C35H54GdN7O15
Molecular Formula
970.10
Molecular Weight
g/mol
970.2919
Exact Mass
Da
352
TPSA
May have limited oral absorption
9
H-Bond Donors
19
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC2=NC(=CC=C2)CN(CCN1C(CCC(=O)NCC(CO)O)C(=O)[O-])C(CCC(=O)NCC(CO)O)C(=O)[O-])C(CCC(=O)NCC(CO)O)C(=O)[O-].[Gd+3]Isomeric SMILES
SMILES: C1CN(CC2=NC(=CC=C2)CN(CCN1C(CCC(=O)NCC(CO)O)C(=O)[O-])C(CCC(=O)NCC(CO)O)C(=O)[O-])C(CCC(=O)NCC(CO)O)C(=O)[O-].[Gd+3]Synonyms(20)
Gadopiclenol933983-75-6S276568KOYELUCIREMP03277WHO 10744P-03277(alpha3,alpha6,alpha9-Tris(3-((2,3-dihydroxypropyl)amino)-3-oxopropyl)-3,6,9,15-tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene-3,6,9-triacetato(3-)-kappaN3,kappaN6,kappaN9,kappaN15,kappaO3,kappaO6,kappaO9)gadoliniumgadopiclenolumVuewayRefChem:57320GBCA P03277P 03277Gadolinium-based Magnetic Resonance Contrast Agent P032773,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene-3,6,9-triacetic acid, alpha, alpha', alpha''-tris(3-((2,3-dihydroxypropyl)amino)-3-oxopropyl)-, gadolinium salt (1:1)
Data from PubChem (NCBI)
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