CAS No.76824-35-6,Famotidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76824-35-6
Name:	Famotidine

Formula:	C₈H₁₅N₇O₂S₃
Molecular Weight:	337.451
Synonyms:	Apo-Famotidine;Apogastine;Bestidine;Gastrodomina;Gastropen;N-(Aminosulfonyl)-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]propanimidamide;PepcidinRapitab;3-[(2-Diaminomethyleneaminothiazol-4-yl)methylthio]-N-sulfamoylpropionamidine;
EINECS:	616-396-9
Density:	1.838 g/cm³
Melting Point:	163-164 °C
Boiling Point:	662.383 °C at 760 mmHg
Flash Point:	354.397 °C
Solubility:	1.1 mg/mL
Appearance:	white powder
Hazard Symbols:	T
Risk Codes:	20/21/22-45-61
Safety:	22-24/25-53-45-36/37/39
PSA:	235.25000
LogP:	3.11400

Synthetic route

: 76823-94-4
methyl 3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionimidate

: 76824-35-6
famotidine

Conditions

Conditions	Yield
With SULFAMIDE In methanol for 47h; Ambient temperature;	54.7%

Raw Materials

76823-94-4

Total:203 Page 1 of 6 1 2 3 4 5 6 Next>>

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History

1、Famotidine was developed by Merck & Co. and is marketed by a joint venture between Merck and Johnson & Johnson.
2、It was first marketed in 1985. Pepcid RPD orally-disintegrating tablets (that are not swallowed) were released in 1999. Generic preparations became available in 2001.
3、In the United States, a product called Pepcid Complete is available that combines famotidine with an antacid in a chewable tablet to ameliorate the relatively slow onset of effects. In the UK, this product is known as Pepcidtwo.

Specification

The Famotidine, with the CAS registry number 76824-35-6, is also known as 2-[4-[2-(Amino-sulfamoylimino-methyl)ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine; N'-(Aminosulfonyl)-3-([2-(diaminomethyleneamino)-4-thiazolyl]methylthio)propanamidine. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; API's; Histamine Receptor; Amines; Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C₈H₁₅N₇O₂S₃ and molecular weight is 337.45. What's more, its systematic name is called 3-[({2-[(Diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide. It should be stored in a cool, dry and well-ventilated place. Famotidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and it is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease. It can be used as histamine H2-receptor antagonist an Antiulcerative.

Physical properties about Famotidine are: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.50; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.52; (9)#H bond acceptors: 9; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 237.75 Å²; (13)Index of Refraction: 1.808; (14)Molar Refractivity: 79.06 cm³; (15)Molar Volume: 183.554 cm³; (16)Polarizability: 31.342×10^-24cm³; (17)Surface Tension: 97.307 dyne/cm; (18)Density: 1.838 g/cm³; (19)Flash Point: 354.397 °C; (20)Enthalpy of Vaporization: 97.443 kJ/mol; (21)Boiling Point: 662.383 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Famotidine: it is used to produce other chemicals. For example, it can produce 3-(2-guanidino-thiazol-4-ylmethylsulfanyl)-propionamide. This reaction needs reagent NH₃ at temperature of 60-65 °C. The reaction time is 20 min. The yield is 97 %.

Famotidine can produce 3-(2-guanidino-thiazol-4-ylmethylsulfanyl)-propionamide.

When you are dealing with this chemical, you should be very careful. This chemical damage to health at low levels cause. It is harmful by inhalation, in contact with skin and if swallowed. It may cause cancer and may cause harm to the unborn child. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. The gas can not be breathed and you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N=C(N)CCSCc1nc(/N=C(/N)N)sc1)N
(2) InChI: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
(3) InChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	4mg/kg/7D-I (4mg/kg)		Annals of Pharmacotherpy. Vol. 28, Pg. 40, 1994.
man	TDLo	oral	209mg/kg/1Y-I (209mg/kg)	CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE	American Journal of Medicine. Vol. 108, Pg. 438, 2000.
mouse	LD50	intraperitoneal	778mg/kg (778mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 147, 1983.
mouse	LD50	intravenous	254mg/kg (254mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
mouse	LD50	oral	4686mg/kg (4686mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
mouse	LD50	subcutaneous	800mg/kg (800mg/kg)		Digestion. Vol. 32(Suppl,
rat	LD50	intraperitoneal	800mg/kg (800mg/kg)		Digestion. Vol. 32(Suppl,
rat	LD50	intravenous	204mg/kg (204mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 6125, 1984.
rat	LD50	oral	4049mg/kg (4049mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
rat	LD50	subcutaneous	800mg/kg (800mg/kg)		Digestion. Vol. 32(Suppl,

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