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cetyl alcohol - Substance Summary (SID 7847167)

has been used for eczema, skin irritations; RN given refers to parent cpd; structure


Drug and Chemical Information: (Total:1)         

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Data Source:   
Depositor: KEGG
External ID: D00099

Depositor-Supplied Synonyms: (Total: 7)
Sort:
cetyl alcohol
Cetanol
Cetanol (TN)
Cetyl alcohol (NF)
Cetanol (JP15)
36653-82-4
D00099


Properties Computed from Structure:
Molecular Weight242.44056 [g/mol]
Molecular FormulaC16H34O
XLogP37.3
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count14
Exact Mass242.260966
MonoIsotopic Mass242.260966
Topological Polar Surface Area20.2
Heavy Atom Count17
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: hexadecan-1-ol
Canonical SMILES: CCCCCCCCCCCCCCCCO
InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,
1H3
InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N


Substance Information:
SID 7847167   
Deposit Date: 2005-10-11
Modify Date: 2008-09-10

CID 2682   
Create Date: 2004-09-16

Related Substances:
Same: 41 Links
Same, Connectivity: 68 Links

Similar Substances: 1468 Links


Depositor-Supplied Comments:
Pharmaceutic aid [emulsifying and stiffening agent]
CAS: 36653-82-4
PDB-CCD: PL3
LigandBox: D00099
Same as: C00823
Therapeutic category: 7121
Component of Absorptive ointment [DR:D05354], Exosurf neonatal (TN)
     
Compound Displayed

2D

3D
Compound ID2682
Molecular Weight242.44056 [g/mol]
Molecular FormulaC16H34O
XLogP37.3
H-Bond Donor1
H-Bond Acceptor1


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