Introduction：Basic information about CAS 59556-17-1|Gabaculine HCl, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Gabaculine HCl |
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| CAS Number | 59556-17-1 | Molecular Weight | 175.61300 |
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| Density | / | Boiling Point | 304.6ºC at 760 mmHg |
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| Molecular Formula | C7H10ClNO2 | Melting Point | 203ºC (dec.)(lit.) |
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| MSDS | / | Flash Point | 138ºC |
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Names
| Name | D,L-Gabaculine, Hydrochloride |
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| Synonym | More Synonyms |
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Gabaculine HCl BiologicalActivity
| Description | DL-Gabaculine hydrochloride is a neurotoxin that irreversibly inhibits bacterial pyridoxal phosphate linked γ-aminobutyric acid-α-ketoglutaric acid transaminase with a Ki of 2.86 μM[1]. |
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| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>GABA ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>Neuronal Signaling >>GABA Receptor |
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| Target | γ-aminobutyric acid-α-ketoglutaric acid transaminase[1] |
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| References | [1]. Rando R R. Mechanism of the irreversible inhibition of γ-aminobutyric acid-α-ketoglutaric acid transaminase by the neurotoxin gabaculine. Biochemistry, 1977, 16(21): 4604-4610. |
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Chemical & Physical Properties
| Boiling Point | 304.6ºC at 760 mmHg |
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| Melting Point | 203ºC (dec.)(lit.) |
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| Molecular Formula | C7H10ClNO2 |
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| Molecular Weight | 175.61300 |
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| Flash Point | 138ºC |
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| Exact Mass | 175.04000 |
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| PSA | 63.32000 |
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| LogP | 1.78690 |
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| InChIKey | OBZFLUDUSNCZKL-UHFFFAOYSA-N |
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| SMILES | Cl.NC1C=CC=C(C(=O)O)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GU4775000
- CHEMICAL NAME :
- 1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride, (+-)-
- CAS REGISTRY NUMBER :
- 59556-17-1
- LAST UPDATED :
- 199610
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H9-N-O2.Cl-H
- MOLECULAR WEIGHT :
- 175.63
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 87 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
- REFERENCE :
- NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 21,803,1982
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Safety Information
| Safety Phrases | 22-24/25 |
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| HS Code | 2922499990 |
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Customs
| HS Code | 2922499990 |
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| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| EINECS 261-802-6 |
| MFCD00036983 |
| 5-aminocyclohexa-1,3-diene-1-carboxylic acid,hydrochloride |
