hexacyclen trisulfate

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Names

[ CAS No. ]:
56187-09-8

[ Name ]:
hexacyclen trisulfate

[Synonym ]:
HEXAAZA-18-CROWN-6 TRISULFATE
1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE TRISULFATE
1,4,7,10,13,16-hexaazacyclooctadecane*3H2SO4
1,4,7,10,13,16-hexaazacyclooctadecane trisulfate salt
Hexacyclen trisulfate salt
KRYPTOFIX 22 AZA TRISULFATE
hexaaza-18-crown-6 sulfuric acid salt
hexacyclen sulfuric acid salt
1,4,7,10,13,16-hexaazacyclooctadecane sulfuric acid salt
1,4,7,10,13,16-hexaazacyclooctadecane trisulfuric acid
MFCD00013154

Chemical & Physical Properties

[ Boiling Point ]:
449.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H36N6O12S3

[ Molecular Weight ]:
552.64200

[ Flash Point ]:
243.9ºC

[ Exact Mass ]:
552.15500

[ PSA ]:
321.12000

[ LogP ]:
0.79440

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MK9330000
CAS REGISTRY NUMBER :
56187-09-8
LAST UPDATED :
198608
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H30-N6.3H2-O4-S
MOLECULAR WEIGHT :
552.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
852 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
327 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

Safety Information

[ Hazard Codes ]:
C

[ Risk Phrases ]:
34

[ Safety Phrases ]:
S26;S45;S36/S37/S39

[ RIDADR ]:
UN 3261 8/PG 2

[ Packaging Group ]:
III

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • ophirapstanol trisulfate
  • ESTRIOL TRISULFATE TRISODIUM SALT
  • Halistanol trisulfate
  • Gallium(III) sulfate hydrate
  • molybdenum,trisulfate
  • scandium(3+),trisulfate,pentahydrate
  • 2-Cyclopropyl-5-ethyl-4-methyl-6-{4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}pyrimidine
  • 4-{[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]methoxy}-5-fluoro-2,6-dimethylpyrimidine
  • 2-Cyclopropyl-5-fluoro-4-methyl-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
  • 2-Methyl-3-(1,3-thiazol-2-yloxy)pyridine
  • 6-[5-(cyclohex-3-ene-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]-9-methyl-9H-purine
  • 5-(2-methoxypyridin-4-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
  • 4,5-Dimethyl-2-(methylsulfanyl)-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
  • 5-[(3-Fluoropyridin-2-yl)oxy]-2-methylpyridine
  • 2-Methyl-6-(4-{[(3-methylpyridin-4-yl)oxy]methyl}piperidine-1-carbonyl)-2,3-dihydropyridazin-3-one
  • 4-Ethyl-6-{4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl}-2-(methylsulfanyl)pyrimidine
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