PHQ

benzyl chlorocarbonate

Created:	1999-07-15
Last modified:	2024-09-27

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10 entries where PHQ is covalently linked to polymer or other heterogen groups 77 entries where PHQ is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

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Chemical Component Summary
Name	benzyl chlorocarbonate
Systematic Name (OpenEye OEToolkits)	phenylmethyl carbonochloridate
Formula	C₈ H₇ Cl O₂
Molecular Weight	170.593
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClC(=O)OCc1ccccc1
SMILES	CACTVS	3.370	ClC(=O)OCc1ccccc1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)COC(=O)Cl
Canonical SMILES	CACTVS	3.370	ClC(=O)OCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)COC(=O)Cl
InChI	InChI	1.03	InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey	InChI	1.03	HSDAJNMJOMSNEV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04569
Name	Benzyl formate
Groups	experimental
Synonyms	Phenylmethyl formate Benzyl formate
Categories	Acids, Acyclic
CAS number	104-57-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thermolysin	MKRKMKMKLVRFGLAAGLAAQVFFLPYNALASTEHVTWNQQFQTPQFISG...	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