Basic information
- Name:
OXOTREMORINE SESQUIFUMARATE
- CAS No.:
17360-35-9
- Molecular Structure:
- Formula:
- C12H18N2O•3/2C4H4O4
- Molecular Weight:
- 380.44
- Synonyms:
- 1-(4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinon(e)-2-butenedioate(2:3);1-(4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinonfumarate(2:3);1-(4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinonsesquifumarate;1-(n-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinonesesquifumarate;oxotremorinefumarate(2:3);1-[4-(1-PYRROLIDINYL)-2-BUTYNYL]-2-PYRROLIDINONE SESQUIFUMARATE;(1-[4-(1-PYRROLIDINYL)-2-BUTYNYL]-2-PYRROLIDINONE) SESQUIFUMARATE SALT;OXOTREMORINE SESQUIFUMARATE
- Density:
- g/cm3
- Melting Point:
- 102-105 °C(lit.)
- Boiling Point:
- 595.7°Cat760mmHg
- Flash Point:
- 314.1°C
- Hazard Symbols:
- A poison.
- Risk Codes:
- 26/27/28
- Safety Description:
- A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of NOx. Details
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Chemistry
IUPAC Name: (E)-but-2-Enedioic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Synonyms of Oxotremorine sesquifumarate (CAS NO.17360-35-9): 1-(N-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinone sesquifumarate ; Oxotremorine fumarate (2:3) ; 2-Pyrrolidinone,1-(4-(1-pyrrolidinyl)-2-butynyl)-,(E)-2-butenedioate (2:3) (9CI) ; 2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-,fumarate (2:3) (8CI) ; 2-Pyrrolidinone,1-(4-(1-pyrrolidinyl)-2-butynyl)-,sesquifumarate ; Bis(1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one) trifumarate
CAS NO: 17360-35-9
Molecular Formula: C36H48N4O14
Molecular Weight: 760.7847
Molecular Structure : .png)
EINECS: 241-388-3
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 23.55 Å2
Flash Point: 169.1 °C
Enthalpy of Vaporization: 62.12 kJ/mol
Boiling Point: 373.9 °C at 760 mmHg
Vapour Pressure: 8.7E-06 mmHg at 25°C
Melting Point: 102-105 °C(lit.)
Storage temp: 2-8°C
Solubility H2O: 50 mg/mL
Appearance: Oxotremorine sesquifumarate (CAS NO.17360-35-9) is off-white powder.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 6500ug/kg (6.5mg/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 227, 1974. | |
| mouse | LD50 | intravenous | 20mg/kg (20mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04243, |
Safety Profile
Hazard Codes: 
T+
Risk Statements: 26/27/28
R26/27/28: Oxotremorine sesquifumarate (CAS NO.17360-35-9) is very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37-45
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: UY6000000
HazardClass: 6.1(a)
PackingGroup: I
A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of NOx.