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Substance Name: Xibornol [INN:BAN:DCF]
RN: 13741-18-9
UNII: RQ12GMY0FZ
InChIKey: RNRHMQWZFJXKLZ-JCKWVBRZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-O

Molecular Weight

  • 258.4024
 
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Names and Synonyms

Name of Substance

  • Xibornol
  • Xibornol [INN:BAN:DCF]

Synonyms

  • (exo)-4,5-Dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)phenol
  • 6-Isobornyl-3,4-xylenol
  • Bactacine
  • Bracen
  • CP 34
  • EINECS 237-312-3
  • Nanbacine
  • UNII-RQ12GMY0FZ
  • Xibornol
  • Xibornolum
  • Xibornolum [INN-Latin]

Systematic Names

  • 3,4-Xylenol, 6-isobornyl- (8CI)
  • 6-Isobornyl-3,4-xylenol
  • Phenol, 4,5-dimethyl-2-(1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)-, (exo)-
  • Xibornol

Registry Numbers

CAS Registry Number

  • 13741-18-9

FDA UNII

  • RQ12GMY0FZ

System Generated Number

  • 0013741189

Structure Descriptors

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+/m0/s1

InChIKey

RNRHMQWZFJXKLZ-JCKWVBRZSA-N

Smiles

Cc1cc(O)c(cc1C)[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1200mg/kg (1200mg/kg)   United States Patent Document. Vol. #3878254,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95 deg C   EXP
log P (octanol-water) 6.640 (none)   EST
Atmospheric OH Rate Constant 1.35E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.