Basic information
- CAS
118288-08-7- Standard SMILES
O=C(CS(=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
KMZQAVXSMUKBPD-DJWKRKHSSA-N- Molecular formula
- C22H29N3O4S
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.18787759
Overview
Lafutidine is an organic molecular entity.
Names & identifiers
- Preferred name
- Lafutidine
- IUPAC
- 2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
- English name
- rac Lafutidine
- Molecular formula
- C22H29N3O4S
- Molecular weight
- 431.55
Names & synonyms
lafutidine118288-08-7FRG-8813DTXSID0046434FRG 8813Lafutidina49S4O7ADLCDTXCID8026434N-(4-(4-Piperidinylmethyl)pyridyl-2-oxy)butenyl-2-(furfurylsulfinyl)acetamideloctidinelafutidinumRefChem:798397
Show more names
(Z)-FRG-8813
A02BA08601-513-8(Z)-Lafutidinerac Lafutidine206449-93-6Lafutidine [INN]Lafutidine [JAN]Lafutidine [MART.]
Database identifiers
- CAS
118288-08-7、206449-93-6- PubChem CID
- 5282136
- DTXSID
DTXSID0046434- ChEMBL
CHEMBL1742461- ChEBI
CHEBI:31759- UNII
- 49S4O7ADLC
- EC Number
- 601-513-8
- Nikkaji
- J485.641D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
DrugsPharmaceuticals -> Gastric and Ulcer Drugs
Physicochemical properties
- Melting point
- 94 · 94-99°C
- Boiling point
- 704.2 · 704.2±60.0 °C(Predicted)
- Density
- 1.252 · 1.252
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
- pka
- 13.13 · 13.13±0.46(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- Stability
- Light Sensitive
- FDA UNII
- 49 S4O7ADLC · 49S4O7ADLC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Lafutidine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood.
Metabolite PathwaysLafutidine H2-Antihistamine Action
Applications
Usesrac Lafutidine is a second generation histamine H2-receptor antagonist. Lafutidine is used as an antiulcerative.
UsesSecond generation histamine H2-receptor antagonist. Antiulcerative.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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