Chemical Component Summary

Namebenzyl chlorocarbonate
Identifiersphenylmethyl carbonochloridate
FormulaC8 H7 Cl O2
Molecular Weight170.593
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)COC(=O)Cl
InChIInChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyHSDAJNMJOMSNEV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04569 
NameBenzyl formate
Groups experimental
Synonyms
  • Benzyl formate
  • Phenylmethyl formate
CategoriesAcids, Acyclic
CAS number104-57-4

Drug Targets

NameTarget SequencePharmacological ActionActions
ThermolysinMKRKMKMKLVRFGLAAGLAAQVFFLPYNALASTEHVTWNQQFQTPQFISG...unknown
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 10387
ChEMBL CHEMBL1581748