Gabaculine HCl

Modify Date: 2025-08-25 10:33:20

Gabaculine HCl Structure
Gabaculine HCl structure
Common Name Gabaculine HCl
CAS Number 59556-17-1 Molecular Weight 175.61300
Density N/A Boiling Point 304.6ºC at 760 mmHg
Molecular Formula C7H10ClNO2 Melting Point 203ºC (dec.)(lit.)
MSDS N/A Flash Point 138ºC

 Use of Gabaculine HCl


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].

 Names

Name D,L-Gabaculine, Hydrochloride
Synonym More Synonyms

 Gabaculine HCl Biological Activity

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].
Related Catalog
Target

γ-aminobutyric acid-α-ketoglutaric acid transaminase[1]

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.

 Chemical & Physical Properties

Boiling Point 304.6ºC at 760 mmHg
Melting Point 203ºC (dec.)(lit.)
Molecular Formula C7H10ClNO2
Molecular Weight 175.61300
Flash Point 138ºC
Exact Mass 175.04000
PSA 63.32000
LogP 1.78690
InChIKey OBZFLUDUSNCZKL-UHFFFAOYSA-N
SMILES Cl.NC1C=CC=C(C(=O)O)C1

 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 DATA

ACUTE 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

 Safety Information

Safety Phrases 22-24/25
HS Code 2922499990

 Customs

HS Code 2922499990
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%

 Synonyms

EINECS 261-802-6
MFCD00036983
5-aminocyclohexa-1,3-diene-1-carboxylic acid,hydrochloride
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