Basic information
- CAS
65202-63-3- Standard SMILES
Br.O=c1[nH]oc2c1CCNC2- InChIKey
UPVZCNRBPOAABW-UHFFFAOYSA-N- Molecular formula
- C6H9BrN2O2
- Average molar mass
- 221.05 g/mol
- Monoisotopic mass
- 219.98474
Names & identifiers
- Preferred name
- Gaboxadol hydrobromide
- IUPAC
- 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrobromide
- English name
- 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one monohydrobromide
- Molecular formula
- C6H9BrN2O2
- Molecular weight
- 221.05186
Names & synonyms
Gaboxadol HydrobromideTHIP monohydrobromide65202-63-3EINECS 265-619-2UNII-7S198J834F7S198J834FNSC-303794Isoxazolo(5,4-c)pyridin-3(2H)-one, 4,5,6,7-tetrahydro-, monohydrobromide4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridine-3-ol hydrobromideDTXSID602155174,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3(2H)-one hydrobromideGABOXADOL HYDROBROMIDE [MI]
Show more names
4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one monohydrobromide
NSC 303794ISOXAZOLO(5,4-C)PYRIDIN-3(2H)-ONE, 4,5,6,7-TETRAHYDRO-, HYDROBROMIDE (1:1)Isoxazolo[5,4-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-, hydrobromide (1:1)RefChem:142041DTXCID90138008265-619-2THIP hydrobromideorb1740547
Database identifiers
- CAS
65202-63-3- PubChem CID
- 198486
- DTXSID
DTXSID60215517- UNII
- 7S198J834F
- EC Number
- 265-619-2
Properties
Computed structural properties
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 162 · 162-163° (dec)
- FDA UNII
- 7 S198J834F · 7S198J834F
- Toxicity
- 50 in · LD50 in mice (mg/kg): 80 i.v., 145 i.p.; >320 orally (U.S. patent)
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 mice (mg/kg): 80 i.v., 145 i.p.; >320 orally (U.S. patent)
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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