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72822-13-0 molecular structure
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1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine hydrochloride

ChemBase ID: 165400
Molecular Formular: C19H28ClN5
Molecular Mass: 361.91212
Monoisotopic Mass: 361.2033236
SMILES and InChIs

SMILES:
C1CCn2c(C1)nnc2CCN1CCN(CC1)c1ccccc1C.Cl
Canonical SMILES:
Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2.Cl
InChI:
InChI=1S/C19H27N5.ClH/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;1H
InChIKey:
ZIODNPFQZIHCOE-UHFFFAOYSA-N

Cite this record

CBID:165400 http://www.chembase.cn/molecule-165400.html

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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 hydrochloride
IUPAC Traditional name
dapiprazole hydrochloride
Synonyms
5,6,7,8-Tetrahydro-3-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]-1,2,4-Triazolo[4,3-a]pyridine Hydrochloride
AF 2139
Glamidolo
Rev-Eyes
Reversil
Dapiprazole Hydrochloride
CAS Number
72822-13-0
PubChem SID
162259533
PubChem CID
6917787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D185450 external link Add to cart
PubChem 6917787 external link
Data Source Data ID Price
TRC
D185450 external link Add to cart Please log in.
Data Source Data ID
PubChem 6917787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D185450 external link
Dapiprazole is an alpha blocker. Dapiprazole is used in the reversal of diagnostic mydriasis.

REFERENCES

REFERENCES

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  • • Hogan, T.S. et al.: J. Ocular Pharmacol. Therap., 13, 297 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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