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Product Name: Meticrane (CAS NO.1084-65-7)
Molecular Formula: C10H13NO4S2
Molecular Weight: 275.34g/mol
Mol File: 1084-65-7.mol
Einecs: 214-112-4
Boiling point: 549.1 °C at 760 mmHg
Flash Point: 285.9 °C
Density: 1.464 g/cm3
Surface Tension: 57.6 dyne/cm
Enthalpy of Vaporization: 82.88 kJ/mol
Vapour Pressure: 4.16E-12 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Meticrane (CAS NO.1084-65-7):
IUPAC Name: 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
Canonical SMILES: CC1=C(C=C2C(=C1)CCCS2(=O)=O)S(=O)(=O)N
InChI: InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKey: FNQQBFNIYODEMB-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 10gm/kg (10000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 217, 1974. | |
mouse | LD50 | intravenous | 325mg/kg (325mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 217, 1974. | |
mouse | LD50 | oral | > 20gm/kg (20000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3560, 1973. | |
mouse | LD50 | subcutaneous | > 20gm/kg (20000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3560, 1973. | |
rat | LD50 | intravenous | 445mg/kg (445mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 217, 1974. | |
rat | LD50 | oral | > 16gm/kg (16000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3560, 1973. | |
rat | LD50 | subcutaneous | > 15gm/kg (15000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3560, 1973. |
Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
Meticrane ,its CAS NO. is 1084-65-7,the synonyms is 6-Methyl-3,4-dihydro-2H-1-benzothiopyran-7-sulfonamide 1,1-dioxide ; 6-Methyl-7-sulfamido-thiochroman-1,1-dioxide ; 6-Methylthiochroman-7-sulfonamide 1,1-dioxide ; Arresten ; E-103-E ; EINECS 214-112-4 ; Fontiliz ; Meticranum ; SD 17102 ; UNII-I7EKN1924Q ; 2H-1-Benzothiopyran-7-sulfonamide, 3,4-dihydro-6-methyl-, 1,1-dioxide (9CI) ; 6-Methylthiochroman-7-sulfonamide 1,1-dioxide ; Thiochroman-7-sulfonamide, 6-methyl-, 1,1-dioxide .