Gadolinium texaphyrin (PCI-0120)
3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;gadolinium(3+);diacetate
Also Known As: Gd texaphyrin|Motexafin gadolinium|Xcytrin|Gadolinium texaphyrin|GD-Tex|API-GP3|FP-GP1|motexafin gadolinium hydrate|Motexafin gadolinium [USAN]|PCI-0120|Gadolinium texaphyrin (PCI-0120)
| Molecular Formula | C52H72GdN5O14 |
|---|---|
| Molecular Weight | 1148.4316 g/mol |
| LogP | 4.1284 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Exact Mass | 1148.4316 |
| Monoisotopic Mass | 1148.4316 |
| Heavy Atoms | 72 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 246252-06-2 |
|---|---|
| SMILES | CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3] |
| InChIKey | VAZLWPAHMORDGR-UHFFFAOYSA-L |
Product Overview
Gadolinium texaphyrin (PCI-0120) (CAS 246252-06-2), with molecular formula C52H72GdN5O14 and molecular weight 1148.4316 g/mol. IUPAC: 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;gadolinium(3+);diacetate.
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