HEXOCYCLIUM METHYLSULFATE

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Names

[ CAS No. ]:
115-63-9

[ Name ]:
HEXOCYCLIUM METHYLSULFATE

[Synonym ]:
Oxoamyl salicylate
Hexocyclium metilsulfate
Hexocyclium methyl sulfate
Traline
EINECS 204-097-2
Hexacyclium methyl sulfate
Tral
Hexocyclium methosulfate

Chemical & Physical Properties

[ Molecular Formula ]:
C21H36N2O5S

[ Molecular Weight ]:
428.58600

[ Exact Mass ]:
428.23400

[ PSA ]:
98.28000

[ LogP ]:
2.91700

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM3125000
CHEMICAL NAME :
Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethy l-, methyl sulfate
CAS REGISTRY NUMBER :
115-63-9
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H33-N2-O.C-H3-O4-S
MOLECULAR WEIGHT :
428.65
WISWESSER LINE NOTATION :
T6K DNTJ A1 A1 DXQ1R&- AL6TJ &WSQO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8900 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01104 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
120 mg/kg
SEX/DURATION :
female 9-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - physical
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1475,1971

Related Compounds

  • Hexocyclium
  • Neostigmine Methylsulfate
  • Diphenmanil (methylsulfate)
  • triphenylsulfonium methylsulfate
  • methylthiotriphenylphosphonium methylsulfate
  • Amezinium methylsulfate
  • (2S)-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanoyl]-4,4-difluoropyrrolidine-2-carboxylic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-{[(3-hydroxycyclobutyl)methyl](methyl)carbamoyl}butanoic acid
  • 1-{2,6-Diazaspiro[3.5]nonan-6-yl}-2-(dimethylamino)ethan-1-one
  • {8-Methyl-2-oxaspiro[4.6]undecan-1-yl}methanesulfonamide
  • 5-[(2R,3S)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-2-hydroxybenzoic acid
  • 2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[3.1.0]hexan-1-yl]formamido}hex-5-enoic acid
  • rac-3-[N-methyl(1R,2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentaneamido]cyclobutane-1-carboxylic acid
  • rac-3-{[(1R,2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}-2-hydroxypropanoic acid
  • 5-(Acetylamino)-1,2-benzisoxazole-3-carboxylic acid
  • 5-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]pentanoic acid
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