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7492-32-2 molecular structure
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(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium

ChemBase ID: 1401
Molecular Formular: C23H33N2O+
Molecular Mass: 353.52092
Monoisotopic Mass: 353.25928869
SMILES and InChIs

SMILES:
O=C(N)C(CC[N+](C(C)C)(C(C)C)C)(c1ccccc1)c1ccccc1
Canonical SMILES:
CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C
InChI:
InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
InChIKey:
JTPUMZTWMWIVPA-UHFFFAOYSA-O

Cite this record

CBID:1401 http://www.chembase.cn/molecule-1401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
IUPAC Traditional name
isopropamide
Brand Name
Darbid
Dipramid
Dipramide
Isamid
Marygin-M
Piaccamide
Priamide
Priazimide
Sanulcin
Tyrimide
Synonyms
2,2-Diphenyl-4-diisopropylaminobutyramide methiodide
4-(Diisopropylamino)-2,2-diphenylbutyramide methiodide
Chloroisopropamide
Isopropamide iodide
Isoproponum iodide
Isopropamide
CAS Number
7492-32-2
PubChem SID
46507726
160964861
PubChem CID
3775

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB01625 external link
PubChem 3775 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 16.314844  H Acceptors
H Donor LogD (pH = 5.5) 0.13792199 
LogD (pH = 7.4) 0.13792323  Log P 0.13792197 
Molar Refractivity 120.7427 cm3 Polarizability 42.898727 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 2.27  LOG S -6.96 
Solubility (Water) 4.24e-05 g/l 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB01625 external link
Item Information
Drug Groups approved
Description Isopropamide iodide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
Indication For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm.
Pharmacology Isopropamide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
Toxicity Symptoms of overdose include dryness of mouth, dysphagia, thirst, blurred vision, dilated pupils, photophobia, fever, rapid pulse and respiration, disorientation. Depression and circulatory collapse may result from severe overdosage.
Affected Organisms
Humans and other mammals
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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