Home > Compound List > Compound details
72822-12-9 molecular structure
click picture or here to close

1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine

ChemBase ID: 183
Molecular Formular: C19H27N5
Molecular Mass: 325.45118
Monoisotopic Mass: 325.22664589
SMILES and InChIs

SMILES:
N1(CCN(CC1)c1c(cccc1)C)CCc1n2CCCCc2nn1
Canonical SMILES:
Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2
InChI:
InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKey:
RFWZESUMWJKKRN-UHFFFAOYSA-N

Cite this record

CBID:183 http://www.chembase.cn/molecule-183.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine
IUPAC Traditional name
dapiprazole
Brand Name
Rev-Eyes
Synonyms
Dapiprazole
CAS Number
72822-12-9
PubChem SID
46508859
160963646
PubChem CID
3033538

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 0.26387095  LogD (pH = 7.4) 1.9607973 
Log P 2.4158738  Molar Refractivity 100.2216 cm3
Polarizability 37.01138 Å3 Polar Surface Area 37.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.78  LOG S -2.64 
Solubility (Water) 7.51e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
Soluble expand Show data source
Hydrophobicity(logP)
2.3 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00298 external link
Item Information
Drug Groups approved
Description Dapiprazole (U.S. trade name Rev-Eyes) is an alpha blocker. It is used to reverse mydriasis after eye examination. [Wikipedia]
Indication Used in the treatment of iatrogenically induced mydriasis produced by adrenergic (phenylephrine) or parasympatholytic (tropicamide) agents used in certain eye examinations.
Pharmacology Dapiprazole is an alpha-adrenergic blocking agent. It produces miosis by blocking the alpha-adrenergic receptors on the dilator muscle of the iris. Dapiprazole produces no significant action on ciliary muscle contraction and thus, there are no changes in the depth of the anterior chamber of the thickness of the lens. It does not alter the IOP either in normal eyes or in eyes with elevated IOP. The rate of pupillary constriction may be slightly slower in clients with brown irises than in clients with blue or green irises.
Toxicity Oral LD50 is 1189-2100 mg/kg in mice, rats and rabbits.
Affected Organisms
Humans and other mammals
Absorption Systemic absorption is negligible.
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle