010

phenylmethanol

Created: 2010-11-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of 010
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Chemical Component Summary

Namephenylmethanol
Systematic Name (OpenEye OEToolkits)phenylmethanol
FormulaC7 H8 O
Molecular Weight108.138
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OCc1ccccc1
SMILESCACTVS3.370OCc1ccccc1
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CO
Canonical SMILESCACTVS3.370 OCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)CO
InChIInChI1.03 InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyInChI1.03 WVDDGKGOMKODPV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB06770 
NameBenzyl alcohol
Groups approved
Synonyms
  • Benzenemethanol
  • Phenylmethyl alcohol
  • α-toluenol
  • Benzoyl alcohol
  • Phenylmethanol
Brand Names
  • Spot Care Green One
  • CVS Maximum Strength LIDOCAINE PLUS
  • Ivy Dry
  • Baby's Own Teething Gel - 2.5%
  • Carpal Comfort
IndicationUlesfia (benzyl alcohol) lotion is indicated for the topical treatment of head lice infestation in patients 6 months of age and older. Ulesfia Lotion does not have ovicidal activity.
Categories
  • Alcohols
  • Anesthetics
  • Anesthetics, Local
  • Antiparasitic Products, Insecticides and Repellents
  • Benzene Derivatives
ATC-CodeP03AX06
CAS number100-51-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytochrome P450 2C8MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...unknownsubstrate
Cytochrome P450 1A1MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...unknowninhibitor
Aldehyde dehydrogenase, mitochondrialMLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVS...unknownsubstrate
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknownsubstrate
Cytochrome P450 2E1MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...unknownsubstrate
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 244
ChEMBL CHEMBL720
ChEBI CHEBI:17987
CCDC/CSD YARXEW, QUPTUT, ZUPTOW, MUPHOX, ZUQKAA, SUQBUB, WISSUP, QOGGUP, QOGGOJ, SUQBUB01, FAXLAR, WIHCEV, OHIHEV, YACVEE, DUJXEN, GUNPIO, XAFTIJ, PUXLIG, HAGTAO, FEQTOO, QASYES