1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid,sulfuric acid

Names

[ CAS No. ]:
102585-07-9

[ Name ]:
1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid,sulfuric acid

[Synonym ]:
Xanthene-9-carboxylic acid,1-methyl-3-pyrrolidinyl ester,sulfate
AHR 361
1-Methyl-3-pyrrolidinylxanthene-9-carboxylate sulfate

Chemical & Physical Properties

[ Molecular Formula ]:
C19H21NO7S

[ Molecular Weight ]:
407.43800

[ Exact Mass ]:
407.10400

[ PSA ]:
132.75000

[ LogP ]:
4.41040

[ Vapour Pressure ]:
3.14E-10mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD5703200
CHEMICAL NAME :
Xanthene-9-carboxylic acid, 1-methyl-3-pyrrolidinyl ester, sulfate
CAS REGISTRY NUMBER :
102585-07-9
LAST UPDATED :
199706
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H19-N-O3.H2-O4-S
MOLECULAR WEIGHT :
407.47
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO- CT5NTJ A1 &..H2.S-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,523,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
205 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,523,1960

Related Compounds

  • N-[(5,6-Difluoro-1H-indol-3-yl)methyl]but-2-ynamide
  • (E)-4-(Dimethylamino)-N-[1-(5-methyl-2-phenyltriazol-4-yl)ethyl]but-2-enamide
  • (E)-N-(4-Cyano-4-pyridin-2-ylcyclohexyl)-4-(dimethylamino)but-2-enamide
  • N-(4-Cyano-4-pyridin-2-ylcyclohexyl)but-2-ynamide
  • (2E)-N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(dimethylamino)but-2-enamide
  • (E)-4-(Dimethylamino)-N-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]but-2-enamide
  • (E)-4-(Dimethylamino)-N-[(6-fluoro-3,4-dihydro-2H-chromen-2-yl)methyl]but-2-enamide
  • N-[3-(5-Cyclopropylpyrazol-1-yl)propyl]but-2-ynamide
  • (E)-4-(Dimethylamino)-N-[(2-pyridin-2-ylspiro[3.3]heptan-2-yl)methyl]but-2-enamide
  • (2E)-4-(dimethylamino)-N-{[1-(fluoromethyl)-6-oxaspiro[2.5]octan-1-yl]methyl}but-2-enamide
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