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Home> Encyclopedia >Gastrointestinal Agents>Pharmaceutical Intermediates>Pharmaceutical
Famotidine structure
Famotidine structure


Iupac Name:3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
CAS No.: 76824-35-6
Molecular Weight:337.435
Modify Date.: 2022-10-30 20:04
Introduction: Famotidine (Chemical formula: C8H15N7O2S3; Brand Name: PEPCID) belongs to a histamine H2-receptor antagonist. It appears as a white to pale yellow crystalline compound. Inside the body, its primary activity is inhibiting the gastric secretion process, further reducing the acid concentration and volume of gastric secretion in the stomach. Based on this property, it is used for the treatment and prevention of ulcers occurring in the stomach and intestines. It can also treat diseases such as Zollinger-Ellison syndrome in which the stomach accumulates excess amount of acids. Moreover, it is also applied during the treatment of gastroesophageal reflux disease (GERD) and pathological hypersecretory conditions. View more+
1. Names and Identifiers
1.1 Name
1.2 Synonyms

[amino-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]-methyl]thio]propylidene]s 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-n-(aminosulfonyl)p 3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)-n(sup2)-sulfamoylp Famotidine USP&BPFAMOTIDINE, IMP. A (EP) AS HYDROCHLORIDE: 3-[[[2-[DIAMINOMETHYLENE)AMINO]THIAZOL-4-YL]METHYL]-SULPHANYL]PROPANIMIDAMIDE HYDROCHLORIDE MM(CRM STANDARD) FAMOTIDINE, IMP. B (EP) AS DIMALONATE: 3,5-[2-[[[2-[(DIAMINOMETHYLENE)AMINO]THIAZOL-4-YL]METHYL]-SULPHANYL]ETHYL]-4H-1,2,4,6-THIATRIAZINE 1,1-DIOXIDE DIMALONATE MM(CRM STANDARD) FAMOTIDINE, IMPURITY C BP STANDARD fibonel ganor Gaster Ifada MFCD00079297 motiax muclox N'-(Aminosulfonyl)-3-([2-(diaminomethyleneamino)-4-thiazolyl]methylthio)propanamidine Pepcid Pepcidine pepdul peptan Propanimidamide, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)- propanimidamide, N-(aminosulfonyl)-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]-

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C8H15N7O2S3 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
2.1 Refractive index
1.7400 (estimate)
2.1 Flash Point
354.4 °C
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
1.1 mg/mL
2.2 Appearance
White to off-white crystalline powder
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
White Powder
2.5 Color/Form
White to pale yellow crystals
2.6 Contact Allergens
Contact dermatitis in a nurse from famotidine, an H2-receptor agonist, was described. In industry, three cases were reported due to intermediates of the synthesis of 2-diamino-ethylene-amino-thiazolyl-methylenethio urea-dichloride, and 4-chloromethyl-2-guanidinothiaz ole-nitrochloride.
2.7 Physical
2.8 pKa
pKa 6.76(H2O t=23.0) (Uncertain)
2.9 Water Solubility
1.1 mg/mL
2.10 StorageTemp
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
3. Use and Manufacturing
3.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 90 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (18.89%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (76.67%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (18.89%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (17.78%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
3.2 Usage
Contact dermatitis from famotidine, a H2 -receptoragonist, was described in a nurse. In industry, threecases were reported due to intermediates of synthesis, 2-diamino-ethylene-amino-thiazolyl-methylenethiourea-dichlorideand 4-chloromethyl-2-guanidinothiazolenitrochloride.
4. Safety and Handling
4.1 Hazard Codes
4.1 Risk Statements
4.1 Safety Statements
4.1 Exposure Standards and Regulations
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
4.2 Octanol/Water Partition Coefficient
logP = -0.57, measured at pH 9.2
4.3 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
NONH for all modes of transport
4.4 Formulations/Preparations
Famotidine 10 mg per tablet PEPCID AC
4.5 WGK Germany
4.5 Safety
Moderately toxic by intraperitoneal, subcutaneous, and intravenous routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
4.6 Toxicity
LD50 i.v. in mice: 244.4 mg/kg (Yasufumi)

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.





2.3 Other hazards which do not result in classification


8. Precursor and Product
9. Other Information
9.0 Usage
Famotidine, is commonly used in the treatment of peptic ulcer disease and gastroesophageal reflux disease.
10. Computational chemical data
  • Molecular Weight: 337.435g/mol
  • Molecular Formula: C8H15N7O2S3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 337.04493627
  • Monoisotopic Mass: 337.04493627
  • Complexity: 469
  • Rotatable Bond Count: 7
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Topological Polar Surface Area: 238
  • Heavy Atom Count: 20
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
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12. Realated Product Infomation