Pivagabine
Basic information
- CAS
69542-93-4- Standard SMILES
CC(C)(C)C(=O)NCCCC(=O)O- InChIKey
SRPNQDXRVRCTNK-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Overview
Pivagabine is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Names & identifiers
- Preferred name
- Pivagabine
- IUPAC
- 4-(2,2-dimethylpropanoylamino)butanoic acid
- English name
- Pivagabine
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
Pivagabine69542-93-4CXB-722DTXSID3046162N-Trimethylacetyl-4-aminobutyric acidPivagabinaCXB7224-(2,2-dimethylpropanamido)butanoic acidC53SV0WO4VDTXCID1026162pivagabinN-trimethylacetyl GABA
Show more names
TonergCXB 722PG 2 (pharmaceutical)4-(Pivaloylamino)butanoic acid4-(2,2-Dimethylpropionamido)butanoic acid4-[(2,2-dimethylpropionyl)amino]butyric acidButanoic acid,4-[(2,2-diMethyl-1-oxopropyl)aMino]-
pivagabinumRefChem:8636784-((2,2-dimethyl-1-oxopropyl)amino)butanoic acidN06AX15274-038-34-Pivalamidobutanoic acid4-(2,2-dimethylpropanoylamino)butanoic acidPivagabine [INN]
Database identifiers
- CAS
69542-93-4- PubChem CID
- 68888
- DTXSID
DTXSID3046162- ChEMBL
CHEMBL1870796- ChEBI
CHEBI:134834- UNII
- C53SV0WO4V
- EC Number
- 274-038-3
- Nikkaji
- J77.615G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 397 · 397.0±25.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO
- pka
- 4.66 · 4.66±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 53 SV0WO4V · C53SV0WO4V
- ATC code
- 6 AX15 · N06AX15
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
DescriptionTonerg was launched in Italy for treatment of acute and post traumatic stress syndrome and "burnout" syndrome. It inhibits hypothalamic release of corticotropinreleasing factor (CRF) and effectively antagonizes the activation of CRF induced stress (neuroendocrine, autonomic and behavior responses). Tonerg is an atypical antidepressant because it does not involve the monoaminergic system and differs in effect from benzodiazepines (complete opposite effect of Diazepam). The entire molecule is responsible for activity. It is lipophilic, orally bioavailable, and has a halflife of 4-6 hr. Tonerg has a positive effect on sleep disorders by reducing insomnia, improving anxiety by 20% and depression by 23%.
Additional notes
DefinitionChEBI: Pivagabine is an organooxygen compound and an organonitrogen compound. It is functionally related to a gamma-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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