CAS 64603-91-4|CAS 85118-33-8|Gaboxadol|gaboxadol hydrochloride|4,5,6,7-Tetra-hydroisoxazolo[5,4-c]pyridin-3-ol|4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-ol hydrochloride|THIP|Gaboxadol hydrochloride...

General Information

Structure

Molecular Formula

C₆H₉ClN₂O₂

Molecular Mass

176.60086

Exact Mass

176.03525522

Charge

InChI

InChI=1S/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H

InChIKey

ZDZDSZQYRBZPNN-UHFFFAOYSA-N

Canonic Smiles

Oc1noc2c1CCNC2.Cl

Isomeric Smiles

Cl.Oc1noc2c1CCNC2

Calculated Properties

JChem

Acid pKa

5.613709

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5933345

LogD (pH = 7.4)

-0.5111428

Log P

-0.39101273

Molar Refractivity

36.2295

Polarizability

13.227511

Polar Surface Area

58.29

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Gaboxadol4,5,6,7-Tetra-hydroisoxazolo[5,4-c]pyridin-3-olTHIP4,5,6,7-四氢异噁唑[5,4-c]吡啶-3-醇盐酸盐Gaboxadol hydrochlorideTHIP 盐酸盐加波沙朵盐酸盐

IUPAC Traditional name

gaboxadol hydrochloride

IUPAC name

4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-ol hydrochloride

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Condition

Room Temperature (15-30°C), Protect from light

RTECS

NY3396800

German water hazard class

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

Download link

≥98% (HPLC)

Physical Property

H2O: soluble20 mg/mL

ethanol: soluble0.91 mg/mL

white solid

Pharmacology Properties

human ... GABRA1(2554), GABRA2(2555), GABRA3(2556), GABRA4(2557), GABRA5(2558), GABRA6(2559), GABRB1(2560), GABRB2(2561), GABRB3(2562)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02153602

Hydrochloride
Post synaptic GABA receptor agonist

Sigma Aldrich

T101

Biochem/physiol Actions
GABAA 受体激动剂。
Caution
光敏

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

Gaboxadol4,5,6,7-Tetra-hydroisoxazolo[5,4-c]pyridin-3-olTHIP4,5,6,7-四氢异噁唑[5,4-c]吡啶-3-醇盐酸盐Gaboxadol hydrochlorideTHIP 盐酸盐加波沙朵盐酸盐

IUPAC Traditional name

gaboxadol hydrochloride

IUPAC name

4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-ol hydrochloride

Registration numbers

CAS Number

EC Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

Hydrochloride
Post synaptic GABA receptor agonist

Sigma Aldrich

T101

Biochem/physiol Actions
GABAA 受体激动剂。
Caution
光敏

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

MSDS Link

Download link

Storage Condition

Room Temperature (15-30°C), Protect from light

RTECS

NY3396800

German water hazard class

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

Download link

≥98% (HPLC)

Physical Property

H2O: soluble20 mg/mL

ethanol: soluble0.91 mg/mL

white solid

Pharmacology Properties

human ... GABRA1(2554), GABRA2(2555), GABRA3(2556), GABRA4(2557), GABRA5(2558), GABRA6(2559), GABRB1(2560), GABRB2(2561), GABRB3(2562)

Molecule

ID:103928