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CAS No.: | 74252-25-8 |
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Name: | INDOMETHACIN SODIUM SALT TRIHYDRATE |
Molecular Structure: | |
Formula: | C19H16 Cl N O4 . 3 H2 O . Na |
Molecular Weight: | 401.85 |
Synonyms: | 1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, sodium salt, trihydrate (9CI) |
Melting Point: | 162oC |
Hazard Symbols: | A poison by ingestion. |
Risk Codes: | A poison "> A poison |
Safety: | A poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
PSA: | 68.53000 |
LogP: | 3.92730 |
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IUPAC Name: 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid
CAS: 74252-25-8
Following is the Molecular Structure of Indomethacin sodium trihydrate (74252-25-8):
SMILES: Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O
InChI: InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey: CGIGDMFJXJATDK-UHFFFAOYAA
Std.InChI: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
Std.InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula: C19H21ClNNaO7
Molecular Weight: 357.7876
Boiling Point: 499.4℃ at 760mmHg
Flash Point: 255.8℃
Molar Volume: 269.5cm3
Density: 1.32g/cm3
Index of Refraction: 1.619
Molar Refractivity: 94.59cm3
Surface Tension: 47.4dyne/cm
Polarizability: 37.49 10-24cm3
Enthalpy of Vaporization: 80.85kJ/mol
Vapour Pressure: 8.61E-11mmHg at 25℃
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | unreported | > 81mg/kg (81mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. | |
mouse | LD50 | intravenous | 23mg/kg (23mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
mouse | LD50 | oral | 21mg/kg (21mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
mouse | LD50 | subcutaneous | 21mg/kg (21mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES GASTROINTESTINAL: PERITONITIS | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
rat | LD50 | intravenous | 23mg/kg (23mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
rat | LD50 | oral | 21mg/kg (21mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
rat | LD50 | subcutaneous | 21mg/kg (21mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 952, 1995. |
A poison by ingestion, subcutaneous, and intravenous routes.
Indomethacin sodium trihydrate (74252-25-8),which also can be called for Indomethacin sodium salt trihydrate ; 1h-Indole-3-acetic acid,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,sodium salt,trihydrate ; Indometacin farnesil .When Indomethacin sodium trihydrate (74252-25-8) was heated,it emits toxic vapors of NOx and Cl− .