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1084-65-7

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Basic Information
CAS No.: 1084-65-7
Name: METICRANE
Molecular Structure:
Molecular Structure of 1084-65-7 (METICRANE)
Formula: C10H13 N O4 S2
Molecular Weight: 275.35
Synonyms: Thiochroman-7-sulfonamide,6-methyl-, 1,1-dioxide (7CI,8CI); 6-Methyl-7-sulfamide-thiochromane1,1-dioxode; 6-Methyl-7-sulfamoylthiochroman 1,1-dioxide;6-Methylthiochroman-7-sulfonamide 1,1-dioxide; Arresten; E 103E; Fontilix;Meticran; Meticrane; SD 171-02; SD 17102
Density: 1.464g/cm3
Melting Point: 236-237°
Boiling Point: 549.1°Cat760mmHg
Flash Point: 285.9°C
Safety: Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.
PSA: 111.06000
LogP: 3.22420
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Poison by intravenous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx and NOx.

Specification

 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 .