Basic information
- CAS
18679-90-8- Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O- InChIKey
SBBDHANTMHIRGW-QMMMGPOBSA-N- Molecular formula
- C10H19NO5
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.12632271
Overview
Hopantenic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Names & identifiers
- Preferred name
- Hopantenic Acid
- IUPAC
- 4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoic acid
- English name
- Hopantenic
- Molecular formula
- C10H19NO5
- Molecular weight
- 233.26
Names & synonyms
Hopantenic acid18679-90-8D-Homopantothenic acidPantocalcinHopanteninsaeureAcido hopantenicoAcide hopanteniqueHopantenic acid [INN]Acidum hopantenicumN-pantoyl-GABAPantocalcin (TN)Acide hopantenique [INN-French]
Show more names
HOPAHopantenicHomopantothenic acidDexpanthenol iMpurity ID-(+)-Homopantothenic acidEthyl Acetate Impurity 2 (Ethyl Acetate EP Impurity B)(R)-4-(2,4-Dihydroxy-3,3-dimethylbutanamido)butanoic acid4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]-butanoicaci4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]-butanoic acid
Acido hopantenico [INN-Spanish]Acidum hopantenicum [INN-Latin]UNII-H473MVB16UD-(+)-4-(2,4-Dihydroxy-3,3-dimethylbutyramido)butyric acidHopantenic acid (INN)4-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]butanoic acidHOPANTENIC ACID [MI]DTXSID6048331
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 62 · 62-64 °C
- Boiling point
- 556 · 556.0±50.0 °C(Predicted)
- alpha
- 20 · D20 +23.8°
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 4.52 at · 4.52 at 25°
- form
- Oil
- color
- Colorless to light yellow
- FDA UNII
- 473 MVB16U · H473MVB16U
- HazardClass
- IRRITANT
- Toxicity
- 50 in · LD50 in male, female mice, male, female rats (mg/kg): 850, 954, 1575, 1458 i.p.; 2063, 2495, 5940, 7348 s.c.; 6297, 7935, 16810, 13350 orally (Nishizawa)
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
- Toxicity
- LD50 in male, female mice, male, female rats (mg/kg): 850, 954, 1575, 1458 i.p.; 2063, 2495, 5940, 7348 s.c.; 6297, 7935, 16810, 13350 orally (Nishizawa)
- hazard_class
- IRRITANT
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
Applications
UsesHoPan inhibits phosphopantotenoylcysteine synthetase activity.
Suppliers26 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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