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Basic Information
CAS No.: 2139-25-5
Name: PERISOXAL CITRATE
Molecular Structure:
Molecular Structure of 2139-25-5 (PERISOXAL CITRATE)
Formula: C16H20N2O2•1/2C6H8O7
Molecular Weight: 368.41
Synonyms: 1-Piperidineethanol,R-(5-phenyl-3-isoxazolyl)-,2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt);Isoxal;Perisoxal citrate (JAN);3-(1-HYDROXY-2-PIPERIDINOETHYL)-5-PHENYL-ISOXAZOLE;α-(5-PHENYL-3-ISOXAZOLYL)-1-PIPERIDINEETHANOL CITRATE (2:1);
Safety: Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Name of Substance: Perisoxal citrate
CAS Registry Number: 2139-25-5
Synonyms: 3-(1-Hydroxy-2-piperidinoethyl)-5-phenylisoxazole citrate (2:1) ; 3-(1-Hydroxy-2-piperidinoethyl)-5-phenylisoxazole citrate(2:1)(31252s) ; 31252S ; Isoxal ; Perisoxal citrate ; alpha-(5-Phenyl-3-isoxazolyl)-1-piperidineethanol citrate (2:1) ; 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (2:1) (8CI) ; 1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (7CI)
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate ; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
Molecular Weight: 733.7841 [g/mol]  
Molecular Formula: C38H45N4O11-3  
H-Bond Donor: 3  
H-Bond Acceptor: 15
Other Registry Number: 40671-46-3
Related Registry Number: 2055-44-9 (Parent)
Surface Tension: 47.7 dyne/cm
Density: 1.157 g/cm3
Flash Point: 236.5 °C
Enthalpy of Vaporization: 76.85 kJ/mol
Boiling Point: 467.4 °C at 760 mmHg
Vapour Pressure: 1.54E-09 mmHg at 25°C
Following is the molecular structure of Perisoxal citrate  (CAS NO.2139-25-5) is:

Toxicity Data With Reference

1.    

orl-rat LD50:1479 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 10 (1979),232.
2.    

scu-rat LD50:878 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 6 (1972),1285.
3.    

ivn-rat LD50:31,300 µg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 10 (1979),232.
4.    

orl-mus LD50:565 mg/kg

     YACHDS    Yakuri to Chiryo. Pharmacology and Therapeutics. 2 (1974),1028.
5.    

scu-mus LD50:373 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 10 (1979),232.
6.    

ivn-mus LD50:35,900 µg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 10 (1979),232.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

Descriptors computed from structure, you can know some information about Perisoxal citrate (CAS NO.2139-25-5) :
Canonical SMILES: C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
InChI: InChI=1S/2C16H20N2O2.C6H8O7/c2*19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKey: OOSOWXQJLLTIAF-UHFFFAOYSA-K