Basic information
- CAS
156436-89-4- Standard SMILES
CC(=O)[O-].CC(=O)[O-].CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[n-]2)C(CCCO)=C4C)C(C)=C3CCCO.[Gd+3]- InChIKey
VAZLWPAHMORDGR-UHFFFAOYSA-L- Molecular formula
- C52H72GdN5O14
- Average molar mass
- 1,148.4 g/mol
- Monoisotopic mass
- 1,148.43169
Overview
See also: Motexafin gadolinium anhydrous (annotation moved to).
Names & identifiers
- Preferred name
- Gadolinium texaphyrin (PCI-0120)
- 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
Names & synonyms
Motexafin gadoliniumXcytrinNSC-695238156436-89-4246252-06-2orb1696019Gadolinium texaphyrin (PCI-0120)NSC695238HY-16336CS-0006383
Database identifiers
- CAS
156436-89-4- PubChem CID
- 393405
Properties
Computed structural properties
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 30
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 2,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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