4'-Hydroxycilostazol, trans-
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Basic information
- CAS
87153-04-6- Standard SMILES
O=C1CCc2cc(OCCCCc3nnnn3C3CCC(O)CC3)ccc2N1- InChIKey
KFXNZXLUGHLDBB-WKILWMFISA-N- Molecular formula
- C20H27N5O3
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.21138974
Names & identifiers
- Preferred name
- 4'-Hydroxycilostazol, trans-
- IUPAC
- 6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
- English name
- 3,4-DIHYDRO-6-[4-[1-(TRANS-4-HYDROXYCYCLOHEXYL)-1H-TETRAZOL-5-YL]BUTOXY]-2(1H)-QUINOLINONE
- Molecular formula
- C20H27N5O3
- Molecular weight
- 385.46
Names & synonyms
87153-04-64'-trans-Hydroxy Cilostazolopc-132134'-Hydroxycilostazol, trans-87153-06-84-cis-Hydroxy Cilostazol4'-trans-Hydroxycilostazol4"-TRANS-HYDROXY CILOSTAZOL4'-Hydroxycilostazol, cis-UNII-142MZU1X6QOPC 13213OPC-13217
Show more names
OPC-13213(TRANS)4trans-Hydroxy Cilostazol4’’-Hydroxy-cilostazol-d54-trans-Hydroxy Cilostazol–d5Cilostazol Metabolite (OPC-13213)Cilostazol p-trans-Hydroxy Impurity3,4-DIHYDRO-6-[4-[1-(TRANS-4-HYDROXYCYCLOHEXYL)-1H-TETRAZOL-5-YL]BUTOXY]-2(1H)-QUINOLINONE
142MZU1X6QCilostazol Impurity 6cis-4'-hydroxycilostazolHL83KWZ4LH6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one2(1H)-Quinolinone, 3,4-dihydro-6-(4-(1-(trans-4-hydroxycyclohexyl)-1H-tetrazol-5-yl)butoxy)-2(1H)-Quinolinone, 3,4-dihydro-6-(4-(1-(cis-4-hydroxycyclohexyl)-1H-tetrazol-5-yl)butoxy)-6-(4-(1-((1r,4r)-4-hydroxycyclohexyl)-1H-tetrazol-5-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- CAS
87153-04-6、87153-06-8- PubChem CID
- 10022985
- DTXSID
DTXSID30434374- UNII
- 142MZU1X6Q、HL83KWZ4LH
- Nikkaji
- J1.030.671J、J1.030.672H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Melting point
- 200 · 200-202°C
- Boiling point
- 710.5 · 710.5±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- pka
- 14.22 · 14.22±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 142 MZU1X6Q · 142MZU1X6Q
Chemistry & industry
Pharmacology
Metabolism/MetabolitesOPC-13217 is a known human metabolite of cilostazol.
Applications
UsesA metabolite of Cilostazol
Uses4’’-Hydroxy-cilostazol-d5 is a labelled metabolite of Cilostazol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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