name of gadoversetamide

Input interpretation

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gadoversetamide

Chemical names and formulas

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formula | C_20H_34GdN_5O_10 name | gadoversetamide IUPAC name | 2-[bis[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation mass fractions | C (carbon) 36.3% | Gd (gadolinium) 23.8% | H (hydrogen) 5.18% | N (nitrogen) 10.6% | O (oxygen) 24.2%

Structure diagram

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Structure diagram

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vertex count | 36 edge count | 36 Schultz index | 16784 Wiener index | 4456 Hosoya index | 5.557×10^6 Balaban index | 4.927

Basic properties

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molar mass | 661.77 g/mol phase | solid (at STP)

Hydrophobicity and permeability properties

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predicted LogP hydrophobicity | 0.36 predicted LogS | -2.41

Basic drug properties

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approval status | approved | investigational | small molecule drug categories | contrast agent | contrast media dosage forms | intravenous: solution

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brand names | optiMARK

Chemical identifiers

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CAS number | 131069-91-5 PubChem CID number | 444013 PubChem SID number | 7848709 SMILES identifier | [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O InChI identifier | InChI=1/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2, 1-2H3, (H, 21, 26)(H, 22, 27)(H, 28, 29)(H, 30, 31)(H, 32, 33);/q;+3/p-3/fC20H34N5O10.Gd/h21-22H;/q-3;m InChI key | HBEAOBRDTOXWRZ-QHSCDVHFCJ