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| CAS No.: | 17360-35-9 |
|---|---|
| Name: | OXOTREMORINE SESQUIFUMARATE |
| 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: | A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 270.90000 |
| LogP: | 0.30300 |
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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.