Basic information
- CAS
64603-91-4- Standard SMILES
O=c1[nH]oc2c1CCNC2- InChIKey
ZXRVKCBLGJOCEE-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Overview
Gaboxadol is an oxazolopyridine. It has a role as a sedative and a GABAA receptor agonist.
Names & identifiers
- Preferred name
- Gaboxadol
- IUPAC
- 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
- English name
- Thip hydrochloride
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
gaboxadolTHIP64603-91-4GaboxadolumMK-09284,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-olLu 02-0304,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-olLu-02-030DTXSID0045206LU-02030K1M5RVL18S
Show more names
THPOGaboxadol-d4Einecs 264-963-0Thip hydrochlorideGaboxadolum [latin]
NSC-759585Isoxazolo(5,4-c)pyridin-3(2H)-one, 4,5,6,7-tetrahydro-DTXCID8025206Isoxazolo[5,4-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-oneLU-2-0302H,3H,4H,5H,6H,7H-(1,2)oxazolo(5,4-c)pyridin-3-oneRefChem:607868
Database identifiers
- CAS
64603-91-4- PubChem CID
- 3448
- DTXSID
DTXSID0045206- ChEMBL
CHEMBL312443- ChEBI
CHEBI:34373- UNII
- K1M5RVL18S
- EC Number
- 264-963-0
- Nikkaji
- J23.621G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 242 · 242-244° (dec)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 0.91 mg/mL · ethanol: 0.91 mg/mL
- pka
- pKa (water, 25°): 4.44 ±0.03; 8.48 ±0.04
- form
- solid
- color
- white
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 3 months.
- FDA UNII
- 1 M5RVL18S · K1M5RVL18S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
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
- wgk
- 3
- rtecs
- NY3396800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Drugs used to prevent SEIZURES or reduce their severity.
Endogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).
Applications
DescriptionGaboxadol HCl (64603-91-4) is a GABA-A receptor agonist. Hypnotic agent.
UsesGABAa agonist, GABAc antagonist
Upstream & downstream products
Upstream raw materials
Suppliers64 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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