CAS No.103628-46-2,Sumatriptan Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103628-46-2
Name:	Sumatriptan
Article Data:	10

Formula:	C₁₄H₂₁N₃O₂S
Molecular Weight:	295.406
Synonyms:	3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide;GR 43175;GR 43175X;Alsuma;BRN 6930870;Sumatriptanum;UNII-8R78F6L9VO;1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl-;1H-Indole-5-methanesulfonamide,3-[2-(dimethylamino)ethyl]-N-methyl-;
Density:	1.243 g/cm³
Melting Point:	169-171 °C
Boiling Point:	497.7 °C at 760 mmHg
Flash Point:	254.8 °C
Solubility:	Water: 21.4 mg/mL
Appearance:	White to crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	73.58000
LogP:	2.79290

Raw Materials

50-00-0

139272-29-0

61-54-1

110-15-6

84-58-2

Downstream Products

Total:120 Page 1 of 4 1 2 3 4 Next>>

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Specification

1. Introduction of Sumatriptan

The Sumatriptan, with CAS registry number of 103628-46-2, has the IUPAC name of 1-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide. It belongs to product categories of Active Pharmaceutical Ingredients; Sumatriptan; API's. This chemical is a white to crystalline powder. What's more, it is used for the treatment of migraine.

2. Properties of Sumatriptan

Physical properties about Sumatriptan are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): -2.35; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 82.35 cm³; (13)Molar Volume: 237.6 cm³; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.243 g/cm³; (16)Flash Point: 254.8 °C; (17)Enthalpy of Vaporization: 76.57 kJ/mol; (18)Boiling Point: 497.7 °C at 760 mmHg; (19)Vapour Pressure: 4.83E-10 mmHg at 25 °C.

3. Structure Descriptors of Sumatriptan

You could convert the following datas into the molecular structure:
1). Canonical SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
2). InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,
19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
3). InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

4. Toxicity of Sumatriptan

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	subcutaneous	429ug/kg/2W-I (0.429mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS	Lancet. Vol. 341, Pg. 1091, 1993.
man	TDLo	subcutaneous	86mg/kg (86mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE	British Medical Journal. Vol. 304, Pg. 1415, 1992.
mouse	LDLo	oral	> 500mg/kg (500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" BEHAVIORAL: ATAXIA	Human & Experimental Toxicology. Vol. 14, Pg. 959, 1995.
mouse	LDLo	subcutaneous	> 100mg/kg (100mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Human & Experimental Toxicology. Vol. 14, Pg. 959, 1995.
rat	LD	intravenous	> 20mg/kg (20mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Human & Experimental Toxicology. Vol. 14, Pg. 959, 1995.
rat	LD	subcutaneous	> 1gm/kg (1000mg/kg)	BEHAVIORAL: TREMOR SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Human & Experimental Toxicology. Vol. 14, Pg. 959, 1995.
rat	LDLo	oral	> 2gm/kg (2000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" BEHAVIORAL: ATAXIA	Human & Experimental Toxicology. Vol. 14, Pg. 959, 1995.
women	TDLo	subcutaneous	120ug/kg (0.12mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS	Lancet. Vol. 341, Pg. 1091, 1993.
women	TDLo	subcutaneous	120ug/kg (0.12mg/kg)	CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE GASTROINTESTINAL: NAUSEA OR VOMITING CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Annals of Internal Medicine. Vol. 129, Pg. 874, 1998.
women	TDLo	subcutaneous	240ug/kg/1H-I (0.24mg/kg)	PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"	Lancet. Vol. 343, Pg. 1105, 1994

5. Safety Information of Sumatriptan

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

6. Use and Preparation of Sumatriptan

Preparation of Sumatriptan: it is prepared by reaction of nitrile compound. The reaction occurs in the solution of dimethylamine and methanol. Besides, the hydrogenation reaction needs catalyst 10% palladium-carbon at room temperature for 24 hours.

Sumatriptan is prepared by reaction of nitrile compound.