Acetic acid;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

Base Information

• Chemical Name: Acetic acid;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
• CAS No.: 156436-89-4
• Molecular Formula: C52H72 Gd N5 O14 . x H2 O
• Molecular Weight: 1148.40000
• DSSTox Substance ID: DTXSID4037083
• Metabolomics Workbench ID: 149472
• NCI Thesaurus Code: C1881
• Wikipedia: Motexafin_gadolinium
• Mol file: 156436-89-4.mol

Synonyms:gadolinium texaphyrin;gadolinium texaphyrin complex;Gd(III) texaphyrin;motexafin gadolinium;PCI-0120;Xcytrin

Chemical Property of Acetic acid;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

Chemical Property:

• PSA: 203.01000
• LogP: 4.59870
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 28
• Exact Mass: 1150.44734
• Heavy Atom Count: 72
• Complexity: 2080

Purity/Quality:

99% ^*data from raw suppliers

MOTEXAFIN GADOLINIUM HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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]
• Recent ClinicalTrials: Contrast-Enhanced CT and MRI in Diagnosing and Staging Liver Cancer Using UNOS Policy
• Uses: Antineoplastic.