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CAS No.: | 7195-27-9 |
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Name: | mefruside |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H19 Cl N2 O5 S2 |
Molecular Weight: | 382.889 |
Synonyms: | m-Benzenedisulfonamide,4-chloro-N1-methyl-N1-(tetrahydro-2-methylfurfuryl)- (7CI,8CI);4-Chloro-N1-methyl-N1-(tetrahydro-2-methylfurfuryl)-m-benzenedisulfonamide; B1500; BAY 1500; Baycaron; FBA 1500; FDA 1902; Mefrusid; Mefruside;N-(4-Chloro-3-sulfamoylbenzenesulfonyl)-N-methyl-2-furfurylamine;N-(4'-Chloro-3'-sulfamoylbenzenesulfonyl)-N-methyl-2-aminomethyl-2-methyltetrahydrofuran |
Density: | 1.417g/cm3 |
Boiling Point: | 565.2°C at 760 mmHg |
Flash Point: | 295.6°C |
Safety: | Mildly toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx. |
PSA: | 123.53000 |
LogP: | 4.03890 |
Product Name: Mefruside (CAS NO.7195-27-9)
Molecular Formula: C13H19ClN2O5S2
Molecular Weight: 382.91g/mol
Mol File: 7195-27-9.mol
Einecs: 230-562-4
Boiling point: 565.2 °C at 760 mmHg
Flash Point: 295.6 °C
Density: 1.417 g/cm3
Surface Tension: 51 dyne/cm
Enthalpy of Vaporization: 84.9 kJ/mol
Vapour Pressure: 8.53E-13 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Mefruside (CAS NO.7195-27-9):
IUPAC Name: 4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide
Canonical SMILES: CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N
InChI: InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)
InChIKey: SMNOERSLNYGGOU-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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cat | LD50 | oral | > 5gm/kg (5000mg/kg) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: FOOD INTAKE (ANIMAL) | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 659, 1967. |
dog | LD50 | oral | > 5gm/kg (5000mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 659, 1967. |
mouse | LD50 | intraperitoneal | 5200mg/kg (5200mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1003, 1973. |
mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 659, 1967. | |
mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1003, 1973. |
mouse | LD50 | subcutaneous | 5200mg/kg (5200mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 386, 1975. | |
rabbit | LD50 | oral | > 3gm/kg (3000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 659, 1967. | |
rat | LD50 | intraperitoneal | 9800mg/kg (9800mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1003, 1973. |
rat | LD50 | intravenous | 500mg/kg (500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 659, 1967. | |
rat | LD50 | oral | > 10gm/kg (10000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1003, 1973. |
rat | LD50 | subcutaneous | 9800mg/kg (9800mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 386, 1975. |
Mildly toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.
Mefruside ,its CAS NO. is 7195-27-9,the synonyms is m-Benzenedisulfonamide, 4-chloro-N(sup 1)-methyl-N(sup 1)-(tetrahydro-2-methylfurfuryl)- ; 1,3-Benzenedisulfonamide, 4-chloro-N(sup 1)-methyl-N(sup 1)-((tetrahydro-2-methyl-2-furanyl)methyl)- ; 4-Chloro-N(sup 1)-methyl-N(sup 1)-(tetrahydro-2-methylfurfuryl)-m-benzenedisulfonamide ; 4-Chloro-N-methyl-N-(2-methyltetrahydrofurfuryl)-1,3-benzenesulfonamide ; BAY 1500 ; Baycaron ; EINECS 230-562-4 ; FBA 1500 ; Mefrusidum ; N-(4'-Chloro-3'-sulfamoylbenzenesulfonyl)-N-methyl-2-aminomethyl-2-methyltetrahydrofuran .