Basic information
- CAS
17097-76-6- Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].[Ca+2]- InChIKey
OVXZVDMCQPLHIY-QXGOIDDHSA-L- Molecular formula
- C20H36CaN2O10
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.19958633
Names & identifiers
- Preferred name
- Butanoic acid, 4-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (2:1)
- IUPAC
- calcium bis(4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoate)
- English name
- CALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATE
- Molecular formula
- C20H38CaN2O11
- Molecular weight
- 522.6
Names & synonyms
calcium hopantenateHopantenate calcium17097-76-6PantogamDTXSID9046653LK8EOC1M6KDTXCID7026653CALCIUM HOPANTENATE ANHYDROUSCALCIUM D-(+)-4-(2,4-DIHYDROXY-3,3-DIMETHYLBUTYLAMIDO)BUTYRATE HEMIHYDRATEButanoic acid, 4-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (2:1)HOPANTENIC ACID, CALCIUM SALT HEMIHYDRATERefChem:1080336
Show more names
calciumhomopantothenateBis[4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]butanoic acid]calcium salt(r)-t(2:1C20H38CaN2O11calciumhopantenatehopantenatecalcium
RQA63PEI5QCalcium homopantothenateCalcium (R)-4-(2,4-Dihydroxy-3,3-dimethylbutanamido)butanoateHopateVivantcalcium;4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoateCalcium D-homopantothenateCalcium hopantenate hemihydrate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly), Water(Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1/2C10H19NO5.Ca.H2O/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;1H2/q;;+2;/p-2/t2*8-;;/s3
- InChIKey
- JBNULYRBVMNPIS-IKMRLYORNA-L
- SMILES
- [C@@H](O)(C(C)(C)CO)C(=O)NCCCC(=O)O[Ca]OC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO.O |&1:0,26,r|
- FDA UNII
- 8 EOC1M6K · LK8EOC1M6K
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesHopantenate 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).
Suppliers62 total
山东科立康药业有限公司053-88113608 17854192669 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
金华市佰康生物工程有限公司0573-15557365800 15557365800 · [email protected]
Shandong Hanjiang Chemical Co., Ltd+86-0533-2066820 +8618369939125 · [email protected]
Xi an Biohorlden Industry Trade Co Ltd+8618829283179 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州润颜医药科技有限公司571-13989459766 18112526015 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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