Gabaculine HCl

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Names

[ CAS No. ]:
59556-17-1

[ Name ]:
Gabaculine HCl

[Synonym ]:
EINECS 261-802-6
MFCD00036983
5-aminocyclohexa-1,3-diene-1-carboxylic acid,hydrochloride

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

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • BOC-5-AMINO-1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID
  • 3-Cyclohexenecarboxylic acid
  • 1-isocyano-3-cyclohexene
  • 6-Azabicyclo[3.2.1]oct-2-en-7-one(9CI)

DownStream

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%

Related Compounds

  • Carbomethoxyformamidine HCl
  • EPZ020411 HCl
  • MedetoMidine HCl
  • MDL72274 HCl
  • Meclizine HCl
  • Meptazinol HCl
  • 2-[(2-Chloro-5-pyrimidinyl)methyl]imidodicarbonic acid 1,3-bis(1,1-dimethylethyl) ester
  • 5-(4-Amino-1-(4-aminobutyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzo[d]oxazol-2-amine
  • 4-Bromo-6-iodochroman
  • 4-Chloro-3-methyl-2-(propan-2-yloxy)aniline
  • 2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
  • N-(7-Amino-4-chloro-1-(2,2-difluoroethyl)-1H-indazol-3-yl)-N-(4-methoxybenzyl)cyclopropanesulfonamide
  • 3-Bromo-6-isothiocyanato-2-methylpyridine
  • 1-[3-(3-Fluorophenyl)morpholin-4-yl]prop-2-en-1-one
  • 2-[5-[2-[3-Chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
  • N-[(2-Chloro-1-benzofuran-3-yl)methyl]prop-2-enamide
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