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73963-62-9 molecular structure
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6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2-dihydroquinolin-2-one

ChemBase ID: 165624
Molecular Formular: C20H25N5O2
Molecular Mass: 367.4448
Monoisotopic Mass: 367.20082507
SMILES and InChIs

SMILES:
c1cc(cc2c1[nH]c(=O)cc2)OCCCCc1nnnn1C1CCCCC1
Canonical SMILES:
O=c1ccc2c([nH]1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
InChI:
InChI=1S/C20H25N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h9-12,14,16H,1-8,13H2,(H,21,26)
InChIKey:
GHALECSGOJQOHW-UHFFFAOYSA-N

Cite this record

CBID:165624 http://www.chembase.cn/molecule-165624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2-dihydroquinolin-2-one
IUPAC Traditional name
6-[4-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxy]-1H-quinolin-2-one
Synonyms
6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-2(1H)-quinolinone
OPC 13015
3,4-Dehydro Cilostazol
CAS Number
73963-62-9
PubChem SID
162259757
PubChem CID
10021885

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D229500 external link Add to cart
PubChem 10021885 external link
Data Source Data ID Price
TRC
D229500 external link Add to cart Please log in.
Data Source Data ID
PubChem 10021885 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.516326  H Acceptors
H Donor LogD (pH = 5.5) 3.3860893 
LogD (pH = 7.4) 3.3860896  Log P 3.3860896 
Molar Refractivity 118.2282 cm3 Polarizability 39.02392 Å3
Polar Surface Area 81.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White to Beige Solid expand Show data source
Melting Point
179-180°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D229500 external link
A metabolite of Cilostazol.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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