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

  • tert-Butyl 3-(5-(methoxycarbonyl)pyridin-2-yl)-1,4-diazepane-1-carboxylate
  • Methyl 7-oxo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
  • tert-Butyl 3-amino-3-(5-methylthiophen-2-yl)azetidine-1-carboxylate
  • tert-Butyl (R)-4-cyano-4-(2-((methylsulfonyl)oxy)propyl)piperidine-1-carboxylate
  • N-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)pyridazine-3-carboxamide
  • Methyl 4-isopropyl-2-methyl-1-oxo-1,2-dihydroisoquinoline-8-carboxylate
  • (4-Cyclopropyl-2-hydroxyphenyl)boronic acid
  • 1-(tert-Butoxycarbonyl)-6,7-dichloro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
  • Benzyl (3R,9aS)-3-methyl-4-oxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxylate
  • tert-Butyl (R)-4-(oxazol-5-yl)azepane-1-carboxylate
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