| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 16 | Yes |
Popular Name: Calcium hopantenate hemihydrate Calcium hopantenate hemihydrate
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CAS Numbers: 17097-76-6 , 18679-90-8 , [17097-76-6]
18679-90-8; D08042; Hopantenic acid (INN); Pantocalcin (TN)
4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]-butanoic acid
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-butanoicacid
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid
butanoic acid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1)
butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
Calcium (R)-4-(2,4-dihydroxy-3,3-dimethylbutanamido)butanoate hydrate
Calcium Hopantenate (JAN); Hopantenic Acid (INN
Calcium hopantenate hydrate (JAN); D03255; Hopate (TN)
calciumbis{4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate}
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.91 | -0.02 | -45.97 | 3 | 6 | -1 | 110 | 232.256 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.