Calcium hopantenateProduct ingredient for Hopantenic acid

Show full entry for Hopantenic acid
Name
Calcium hopantenate
Drug Entry
Hopantenic acid

Hopantenic acid (Pantogam) is a central nervous system depressant. Hopantenic acid has a unique spectrum of pharmacological effects (nootropic, anticonvulsant, mild activating) in the absence of addiction, hyperstimulation or withdrawal syndrome. 1

See full entry for Hopantenic acid
Accession Number
DBSALT002703
Structure
Similar Structures
Synonyms
Calcium homopantothenate / Calcium hopantenate hydrate / Hopantenate calcium / Hopantenic acid calcium salt hemihydrate / Hopantenic acid, calcium salt hemihydrate / Pantogam
UNII
RQA63PEI5Q
CAS Number
76567-35-6
Weight
Average: 1027.195
Monoisotopic: 1026.4097372
Chemical Formula
C40H74Ca2N4O21
InChI Key
NNHRASUFFPCRBJ-MIOUZRKOSA-J
InChI
InChI=1S/4C10H19NO5.2Ca.H2O/c4*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;;/h4*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;;1H2/q;;;;2*+2;/p-4/t4*8-;;;/m0000.../s1
IUPAC Name
dicalcium tetrakis(4-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]butanoate) hydrate
SMILES
O.[Ca++].[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O
ChemSpider
10128620
Predicted Properties
PropertyValueSource
Water Solubility2.3 mg/mLALOGPS
logP0.19ALOGPS
logP-1.1Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)4.37Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area109.69 Å2Chemaxon
Rotatable Bond Count28Chemaxon
Refractivity67.1 m3·mol-1Chemaxon
Polarizability23.75 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon