Ketcher 05271608172D 1   1.00000     0.00000     0

 20 22  0     1  0            999 V2000
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    8.8498   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0401   -5.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0     0  0
  2  7  1  0     0  0
  2  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  6  9  1  0     0  0
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  1  2  1  0     0  0
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  6 12  1  6     0  0
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 13 14  1  0     0  0
 14 15  2  0     0  0
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 13 19  1  0     0  0
 16 20  1  0     0  0
M  END
> <ID>
CHEBI:131713

> <NAME>
xibornol

> <DEFINITION>
A bridged compound that is 3,4-xylenol carrying an additional isobornyl substituent at position 6. A lipophilic antibacterial drug  mainly used in spray dosage forms for the local treatment of infection and inflammation of the throat.

> <STAR>
3

> <SYNONYM>
6-Isobornyl-3,4-xylenol; (exo)-4,5-Dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenol

> <IUPAC_NAME>
4,5-dimethyl-2-[(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol

> <INN>
xibornolum; xibornol; xibornol; xibornol

> <FORMULA>
C18H26O

> <MASS>
258.399

> <MONOISOTOPIC_MASS>
258.19837

> <CHARGE>
0

> <SMILES>
[C@]12(CC[C@@](C1(C)C)(C[C@H]2C3=C(C=C(C(=C3)C)C)O)[H])C

> <INCHI>
InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1

> <INCHIKEY>
RNRHMQWZFJXKLZ-XUWXXGDYSA-N

> <CAS_REGISTRY_NUMBER>
13741-18-9

> <REAXYS_REGISTRY_NUMBER>
2561603

> <CHEMIDPLUS>
13741-18-9

> <KEGG_DRUG_ACCESSION>
D07433

> <WIKIPEDIA_ACCESSION>
Xibornol

> <PUBMED_CITATION>
17531411; 3146238; 3253223; 3366502; 3396117; 3526110; 3627066; 3807837; 3900675; 4028638; 6399668; 6529770; 6537755

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