MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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benzocaine

	Properties	Image
MNX_ID	MNXM43556
reference	chebi:116735
formula	C₉H₁₁NO₂
global charge	0
mol weight	165.192
InChIKey	BLFLLBZGZJTVJG-UHFFFAOYSA-N
InChI	InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
SMILES	CCOC(=O)C1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][O:12][C:9]([C:7]1=[CH:4][CH:6]=[C:8]([NH2:10])[CH:5]=[CH:3]1)=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:116735 chebi:116735 BLFLLBZGZJTVJG-UHFFFAOYSA-N	benzocaine 4-aminobenzoic acid ethyl ester Amben ethyl ester Benzocaina Benzocaine Benzocainum Ethyl aminobenzoate Ethyl p-aminobenzoate Ethyl p-aminophenylcarboxylate ethyl 4-aminobenzoate p-(Ethoxycarbonyl)aniline p-Carbethoxyaniline p-Ethoxycarboxylic aniline
kegg.drug:D00552 keggD:D00552 BLFLLBZGZJTVJG-UHFFFAOYSA-N	Benzocaine (USP/INN) Ethyl aminobenzoate (JP18) Parathesin (TN)
hmdb:HMDB0004992 BLFLLBZGZJTVJG-UHFFFAOYSA-N	Benzocaine (P-(Ethoxycarbonyl)phenylamine 4-(Ethoxycarbonyl)aniline 4-(Ethoxycarbonyl)phenylamine 4-Aminobenzoate 4-Aminobenzoate ethyl ester 4-Aminobenzoic acid 4-Aminobenzoic acid ethyl ester 4-Carbethoxyaniline Acetate, benzocaine Aethoform Amben ethyl ester Americaine Anaesthan-syngala Anaesthesin Anaesthin Anestezin Anesthesin Anesthesine Anesthone Baby anbesol Bensokain Benzoak Benzocaina Benzocaine acetate Benzocaine formate Benzocaine hydrobromide Benzocaine hydrochloride Benzocaine methanesulfonate Benzocainum Dermoplast Diet ayds Ethoform Ethyl 4-aminobenzoate Ethyl 4-aminobenzoic acid Ethyl P-aminobenzenecarboxylate Ethyl aminobenzoate Ethyl aminobenzoic acid Ethyl p-aminobenzoate Ethyl p-aminobenzoic acid Ethyl p-aminophenylcarboxylate Ethyl p-aminophenylcarboxylic acid Ethylester kyseliny P-aminobenzoove Formate, benzocaine Hurricaine Hydrobromide, benzocaine Hydrochloride, benzocaine Identhesin Keloform Methanesulfonate, benzocaine Norcain Norcaine Ora-jel Orabase-b Orthesin P-Aminobenzoate P-Aminobenzoic acid P-Aminobenzoic acid ethyl ester Parathesin Parathesine Slim mint gum Solarcaine Solu H Topcaine benzocaine ethyl 4-aminobenzoate p-(Ethoxycarbonyl)aniline p-Carbethoxyaniline p-Ethoxycarboxylic aniline
seed.compound:cpd04697 seedM:cpd04697 sabiork.compound:9632 sabiorkM:9632 kegg.compound:C07527 keggC:C07527 BLFLLBZGZJTVJG-UHFFFAOYSA-N	Benzocaine Ethyl aminobenzoate
metacyc.compound:CPD-24161 metacycM:CPD-24161 BLFLLBZGZJTVJG-UHFFFAOYSA-N	benzocaine Orajel ethyl 4-aminobenzoate
hmdb:HMDB04992 chebi:3030 keggC:M_C07527 keggD:M_D00552 seedM:M_cpd04697	secondary/obsolete/fantasy identifier