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21256-18-8

Basic Information
CAS No.: 21256-18-8
Name: Oxaprozin
Article Data: 15
Molecular Structure:
Molecular Structure of 21256-18-8 (Oxaprozin)
Formula: C18H15NO3
Molecular Weight: 293.322
Synonyms: 2-Oxazolepropionicacid, 4,5-diphenyl- (8CI);3-(4,5-Diphenyloxazol-2-yl)propionic acid;4,5-Diphenyl-2-oxazolepropionic acid;Actirin;Alvo;Daypro;Durapro;Duraprost;NSC 310839;Oxapro;2-Oxazolepropanoicacid, 4,5-diphenyl-;Wy 21743;b-(4,5-Diphenyloxazol-2-yl)propionic acid;
EINECS: 244-296-1
Density: 1.222 g/cm3
Melting Point: 154 °C
Boiling Point: 467 °C at 760 mmHg
Flash Point: 236.2 °C
Solubility: 4mg/L(37 oC)
Appearance: solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 24/25-36/37/39-36-26
PSA: 63.33000
LogP: 4.02580
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Chemistry

Molecule structure of Oxaprozin (CAS NO.21256-18-8):
 
IUPAC Name: 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid 
Molecular Weight: 293.3166 g/mol
Molecular Formula: C18H15NO3 
Density: 1.222 g/cm3 
Melting Point: 154 °C
Boiling Point: 467 °C at 760 mmHg 
Flash Point: 236.2 °C
Index of Refraction: 1.595
Molar Refractivity: 81.57 cm3
Molar Volume: 239.9 cm3
Surface Tension: 50.6 dyne/cm 
Enthalpy of Vaporization: 76.8 kJ/mol
Vapour Pressure: 1.6E-09 mmHg at 25 °C
XLogP3: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 293.105193
MonoIsotopic Mass: 293.105193
Topological Polar Surface Area: 63.3
Heavy Atom Count: 22
Canonical SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-N
EINECS: 244-296-1
Product Categories: Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; APIs; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles

Uses

 Oxaprozin (CAS NO.21256-18-8) is a non-steroidal anti-inflammatory drug (NSAID), used to relieve theswelling, stiffness, inflammation and joint pain associated with osteoarthritis and rheumatoid arthritis.

Toxicity Data With Reference

1.    

orl-rbt TDLo:39 mg/kg (female 6-18D post):TER

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),250.
2.    

orl-rat LD50:4470 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
3.    

ipr-rat LD50:506 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
4.    

scu-rat LD50:2910 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
5.    

ivn-rat LD50:82 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
6.    

orl-mus LD50:1210 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
7.    

ipr-mus LD50:376 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
8.    

scu-mus LD50:556 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
9.    

ivn-mus LD50:93 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.
10.    

ipr-dog LD50:200 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 15 (1984),359.

Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37/39-36-26 
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: RP6990000
Hazard Note: Irritant
Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. An anti-inflammatory agent. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Oxaprozin (CAS NO.21256-18-8) is also named as 3-(4,5-Diphenyl-2-oxazolyl)propenoic acid ; 4,5-Diphenyl-2-oxazolepropanoic acid ; Alvo ; BRN 1083168 ; Daypro ; Deflam ; HSDB 7586 ; NSC 310839 ; Oxaprozina ; Oxaprozina [INN-Spanish] ; Oxaprozine ; Oxaprozine [INN-French] ; Oxaprozinum ; Oxaprozinum [INN-Latin] ; UNII-MHJ80W9LRB ; Voir ; WY-21743 ; beta-(4,5-Diphenyloxazol-2-yl)propionic acid .