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

Names

[ 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

2-Acetamido-4-hydroxy-3-methylpentanoic acid
3-Amino-2-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
tert-butyl N-[3-amino-2-(thiophen-3-yl)propyl]carbamate
2,2-Dimethyl-4-(oxolan-3-yl)butanal
1,1-Dioxo-3-[(trimethylsilyl)methyl]-1lambda6-thietane-3-carbaldehyde
1-[3-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]butane-1,3-dione
Benzyl 3-(2-hydroxypropoxy)azetidine-1-carboxylate
4-(4-Ethoxy-2-methylphenyl)but-3-en-2-amine
(S)-1-((2R,3S)-3-Methoxy-1-methylpyrrolidin-2-yl)ethan-1-ol
(3R)-3-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

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