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81403-68-1 molecular structure
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N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboxamide hydrochloride

ChemBase ID: 72670
Molecular Formular: C19H28ClN5O4
Molecular Mass: 425.90972
Monoisotopic Mass: 425.18298208
SMILES and InChIs

SMILES:
c1(c(cc2c(c1)c(nc(n2)N(CCCNC(=O)C1CCCO1)C)N)OC)OC.Cl
Canonical SMILES:
COc1cc2nc(nc(c2cc1OC)N)N(CCCNC(=O)C1CCCO1)C.Cl
InChI:
InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
InChIKey:
YTNKWDJILNVLGX-UHFFFAOYSA-N

Cite this record

CBID:72670 http://www.chembase.cn/molecule-72670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboxamide hydrochloride
IUPAC Traditional name
alfuzosin hydrochloride
Synonyms
N-(3-((4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-2-furancarboxamide hydrochloride
Uroxatral hydrochloride
Alfuzosin hydrochloride
Uroxatral
Alfuzosin HCl
N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolynyl)methylamino]propyl]tetrahydro-2-furancarboxamide
Alfoten
SL 77-499-10
SL 77499-10
Urion
Xatral
Alfuzosin Hydrochloride
CAS Number
81403-68-1
MDL Number
MFCD00879135
PubChem SID
162037591
PubChem CID
71764

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71764 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.639695  H Acceptors
H Donor LogD (pH = 5.5) -0.34812674 
LogD (pH = 7.4) 0.936928  Log P 1.1875362 
Molar Refractivity 107.1141 cm3 Polarizability 41.11549 Å3
Polar Surface Area 111.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: >10 mg/mL expand Show data source
H2O: insoluble expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
solid expand Show data source
White to Off-White Solid expand Show data source
Melting Point
227-228°C (dec.) expand Show data source
Storage Condition
-20°C expand Show data source
-20°C Freezer expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Target
adrenergic receptor expand Show data source
Purity
≥98% (HPLC) expand Show data source
Salt Data
HCL expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C19H27N5O4 · HCl expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
Selleck Chemicals - S1409 external link
Research Area: Bladder dysfunction
Biological Activity:
Alfuzosin(Uroxatral) is an alpha1 receptor antagonist used to treat benign prostatic hyperplasia (BPH). It works by relaxing the muscles in the prostate and bladder neck, making it easier to urinate. [2]
Sigma Aldrich - A0232 external link
Biochem/physiol Actions
Alfuzosin hydrochloride is an alpha-adrenergic blocker used to treat benign prostatic hyperplasia (BPH). It works by relaxing the muscles in the prostate and bladder neck, making it easier to urinate.
Toronto Research Chemicals - A532000 external link
α1-Adrenoceptor antagonist structurally similar to Prozosin. Antihypertensive. Used in treatment of benign prostatic hypertrophy.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • http://www.rxlist.com/uroxatral-drug.htm
  • • Ramage, A.G., et al.: Eur. J. Pharmacol., 129, 307 (1986)
  • • Deering, A.H.,: Brit. J. Clin. Pharmacol., 25, 417 (1986)
  • • Priolo, L.D., et al.: Eur. J. Clin. Pharmacol., 35, 25 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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