Basic information
- CAS
29868-97-1- Standard SMILES
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.[Cl-].[H+]- InChIKey
AFBSBOBDKXETKP-UHFFFAOYSA-N- Molecular formula
- C19H22ClN5O2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1462027
Names & identifiers
- Preferred name
- hydron;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;chloride
- IUPAC
- hydron;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;chloride
- English name
- Pirenzepine hydrochloride
- Molecular formula
- C19H22ClN5O2
- Molecular weight
- 387.87
Names & synonyms
PIRENZEPINE DIHYDROCHLORIDETabeMaghenLeblonl-s519UlcosanRenzepinGasterills519cl2Bisvanil
Database identifiers
- CAS
29868-97-1- PubChem CID
- 657247
Properties
Computed structural properties
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Melting point
- 248 · 248-250°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- powder
- color
- white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C19H21N5O2.ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;/h2-8H,9-13H2,1H3,(H,21,26);1H
- InChIKey
- AFBSBOBDKXETKP-UHFFFAOYSA-N
- SMILES
- C(N1C2=CC=CC=C2C(=O)NC2C=CC=NC1=2)(=O)CN1CCN(C)CC1.Cl
- CAS DataBase Reference
- 29868 · 29868-97-1(CAS DataBase Reference)
- FDA UNII
- 10 YM403FLS · 10YM403FLS
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- UU7883000
- hs_code
- 2933.99.7500
- Toxicity
- dog,LD50,intravenous,62500ug/kg (62.5mg/kg),Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H317-H402
- Precautionary statements
- P501-P261-P273-P272-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330
Chemistry & industry
Applications
DescriptionPirenzepine is an antagonist of M1 muscarinic acetylcholine receptors (Ki = 11.48 nM). It is selective for M1 over M2, M3, and M4 receptors (Kis = 602.56, 151.36, and 199.53 nM, respectively). Pirenzepine inhibits ascending reflex contraction of the circular smooth muscle in isolated guinea pig ileal segments induced by intraluminal balloon inflation (IC50 = 501.19 nM). It inhibits methacholine-induced increases in ileal pressure in guinea pigs (ID50 = 724.44 nmol/kg). Pirenzepine inhibits oxotremorine-induced gastric ulcer, gastric acid secretion, and salivation in rats (ED50s = 13, 37.5, and 620 μg/kg i.v., respectively). It prevents form-deprivation myopia (FDM) in a chick model of experimental myopia.
UsesAntiulcerative;M1 antagonist
UsesAn antiulcerative. Tricyclic gastric-acid inhibitor.
General DescriptionPirenzepine dihydrochloride is an anticholinergic agent. It is also considered as an antiulcer drug. It is used to treat myopia, gastric and duodenal ulcers. Pirenzepine dihydrochloride induces the dimerization of muscarinic M1 receptors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工
Related reactions
0 records
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Compound notes
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