Caldiamide

Base Information

• Chemical Name: Caldiamide
• CAS No.: 119895-95-3
• Molecular Formula: C16H29N5O8
• Molecular Weight: 419.43
• European Community (EC) Number: 601-640-9
• DSSTox Substance ID: DTXSID40275659
• Nikkaji Number: J374.426D
• Wikidata: Q72470549
• NCI Thesaurus Code: C83578
• ChEMBL ID: CHEMBL106971
• Mol file: 119895-95-3.mol

Synonyms:DTPA-BMA;119895-95-3;Caldiamide;2-[bis[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid;2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-;Caldiamide parent;CHEMBL106971;SCHEMBL1114868;DTXSID40275659;LS-194391;F81354;n,n-bis[2-[(carboxymethyl)[(methylcarbamoyl)methyl]amino]ethyl]-glycine;5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oic acid

Chemical Property of Caldiamide

Chemical Property:

• Vapor Pressure: 6.54E-26mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 769.1 °C at 760 mmHg
• PKA: 2.20±0.10(Predicted)
• Flash Point: 419 °C
• PSA: 179.82000
• Density: 1.352 g/cm³
• LogP: -2.58000
• Solubility.: Water
• XLogP3: -9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 419.20161290
• Heavy Atom Count: 29
• Complexity: 544

Purity/Quality:

99.9% ^*data from raw suppliers

Dtpa-bma ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O
• Uses: Dtpa-bma is an intermediate used in the synthesis of Caldiamide Sodium (C145690), which is an analog of Gadodiamide (G125710) which is an apoptosis inducing agent used in chondrocytes. Gadodiamide is primarily used in muscoskeletal diagnosis as a contrast agent.