(1,1-dimethylpyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate,methyl sulfate

Names

[ CAS No. ]:
102584-69-0

[ Name ]:
(1,1-dimethylpyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate,methyl sulfate

[Synonym ]:
Pyrrolidinium,1,1-dimethyl-3-hydroxy-,methylsulfate,xanthene-9-carboxylate
AHR 389
Xanthen-carbonsaeure-(9)-(1-methyl-pyrrolidinyl-(3)-ester)-methomethylsulfat
1,1-Dimethyl-3-hydroxypyrrolidinium methylsulfate xanthene-9-carboxylate

Chemical & Physical Properties

[ Molecular Formula ]:
C21H25NO7S

[ Molecular Weight ]:
435.49100

[ Exact Mass ]:
435.13500

[ PSA ]:
110.34000

[ LogP ]:
3.44870

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY4337850
CHEMICAL NAME :
Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, methylsulfate, xanthene-9-carboxylate
CAS REGISTRY NUMBER :
102584-69-0
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H22-N-O3.C-H3-O4-S
MOLECULAR WEIGHT :
435.53
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO- CT5KTJ A1 A1 &WSO&O1

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 :
112 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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 3-{[(Tert-butoxy)carbonyl]amino}-3-(2-methylpyridin-4-yl)propanoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 2-[2-(3,5-dimethyl-4-isoxazolyl)-4-nitrophenoxy]Ethanol