Compound Summary
calcium pantothenate
Compound Information
calcium pantothenate
Compound Name: | calcium pantothenate |
Compound CID: | 443753 |
Synonyms: | calcium pantothenate 137-08-6 D-Calcium pantothenate Calpanate Calcium D-pantothenate More... |
Iupac Name: | calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate |
InChI: | InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1 |
InChIKey: | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
Canonical Smiles: | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2] |
Isomeric Smiles: | CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2] |
Molecular Weight: | 476.5 |
Molecular Formula: | C18H32CaN2O10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
calcium pantothenate
Molecular Weight: | 476.5 |
Molecular Formula: | C18H32CaN2O10 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 31 |
Complexity: | 233 |
Synonyms
calcium pantothenate
| calcium pantothenate | calcium pantothenate |
|---|---|
calcium pantothenate |
137-08-6 |
D-Calcium pantothenate |
Calpanate |
Calcium D-pantothenate |
Pantothenate calcium |
Pantholin |
Pancal |
UNII-568ET80C3D |
D-Pantothenic Acid Hemicalcium |
Cris Pan |
Calcium panthothenate |
Ca-HOPA |
Dextro calcium pantothenate |
Vitamin B5, calcium salt |
568ET80C3D |
Calcium pantothenate (2:1) |
Pantothenic acid, calcium salt |
D-Pantothenic acid hemicalcium salt |
Calcium D-Panthotenate |
pantothenic acid calcium |
Calpan |
Pantothenic acid calcium salt |
D-Calcium pantothenate calcium chloride double salt |
Calcii pantothenas |
D-Pantothenic Acid Calcium Salt |
Pantotenato calcico |
N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine calcium |
Pantothenate de calcium |
Bis(pantothenato)calcium |
NCGC00183031-01 |
Calcium pantothenate (VAN) |
Calcium, bis(pantothenato)- |
Calcium pantothenate , D-form |
CCRIS 1338 |
Calcii pantothenas INN-Latin |
Calcium D-pantothenate (1:2) |
Pantotenato calcico INN-Spanish |
EINECS 205-278-9 |
Calcium pantothenate USP:INN:JAN |
Calpan (TN) |
NSC 36292 |
Pantothenate de calcium INN-French |
Vitamin B5 calcium salt |
Pantothenic acid, calcium salt (2:1), D- |
Pantothenic acid, calcium salt, D-, compd. with calcium chloride |
D-Pantothenic Acid Calcium |
Pantothenic acid, calcium salt (2:1), (+)- |
DSSTox_CID_20438 |
DSSTox_RID_79493 |
DSSTox_GSID_40438 |
SCHEMBL34427 |
CHEMBL1901349 |
DTXSID8040438 |
CHEBI:31345 |
Tox21_113437 |
AKOS024258157 |
Calcium pantothenate (JP17/USP/INN) |
beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)- |
Calcium D(+)-N-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alaninate |
Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine (1:2), (R)- |
AS-13049 |
CAS-137-08-6 |
P0012 |
D01082 |
D70806 |
A807185 |
Pantothenic acid calcium 10 microg/mL in Acetonitrile |
Q27261387 |
UNII-2KC899R47Q component FAPWYRCQGJNNSJ-UBKPKTQASA-L |
Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine |
beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt |
calcium 3-(2R)-2,4-dihydroxy-3,3-dimethyl-butanoylaminopropanoate |
beta-Alanine, N-((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) |
beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (theta)- |
Experimental Data
calcium pantothenate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mus musculus | 300.000000000000000 | ug | 559.000000000000000 | 660.400000000000000 | 0.180000000000000 | S | MALES | 13614445 | Active | ||||
| Drosophila melanogaster | 0.500000000000000 | g/kg | 13.300000000000000 | 17.000000000000000 | 27.800000000000000 | S | Oregon-R | 18856647 | Active | ||||
| Mus musculus | 300.000000000000000 | ug | 540.200000000000000 | 648.400000000000000 | 0.200000000000000 | S | FEMALES | 13614445 | Active |
Experimental Data Visualization
calcium pantothenate
Statistics Data
calcium pantothenate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 27.800000000000000 | 1 | 1 | |
| Mus musculus | 0.200000000000000 | 1 | 2 |
Statistics Data Visualization
calcium pantothenate
