Calcium hopantenate

Base Information

• Chemical Name: Calcium hopantenate
• CAS No.: 17097-76-6
• Molecular Formula: 2C₁₀H₁₈NO₅*Ca
• Molecular Weight: 504.591
• UNII: LK8EOC1M6K
• DSSTox Substance ID: DTXSID9046653
• Wikidata: Q27283045
• NCI Thesaurus Code: C83576
• ChEMBL ID: CHEMBL2106027
• Mol file: 17097-76-6.mol

Synonyms:calcium homopantothenate;calcium hopantenate;GABA pantoate;GABA-pantoyl;homopantothenic acid;hopantenic acid;pantogab;pantogab, (+-)-isomer;pantogab, (R)-isomer;pantogab, (S)-isomer;pantogab, calcium (2:1) salt;pantogab, calcium (2:1) salt, (R)-isomer;pantogab, sodium salt, (R)-isomer;pantogam;pantoyl-GABA

Chemical Property of Calcium hopantenate

Chemical Property:

• Vapor Pressure: 1.11E-14mmHg at 25°C
• Melting Point: 165 °C
• Boiling Point: 556 °C at 760 mmHg
• Flash Point: 290.1 °C
• PSA: 200.95000
• LogP: -0.74310
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water(Slightly)
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 504.1995862
• Heavy Atom Count: 33
• Complexity: 246

Purity/Quality:

99%, ^*data from raw suppliers

Hopantenate Calcium ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C(C(=O)NCCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCCC(=O)[O-])O.[Ca+2]
• Isomeric SMILES: CC(C)(CO)[C@H](C(=O)NCCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCCC(=O)[O-])O.[Ca+2]
• Uses: Hopantenate calcium, is a derivative of Hopantenic Acid, which is a central nervous system drug. In its calcium salt form, it used to be used for a variety of neurological, psychological and psychiatric conditions in Russia. Hopantenic Acid is also the amide of D-pantoate and γ-aminobutyric acid (GABA).