Survey with prize
Record Information
Version1.0
Creation date2010-04-08 22:10:26 UTC
Update date2019-11-26 03:07:48 UTC
Primary IDFDB012942
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFabatin
DescriptionFabatin, also known as dexedrine or dextrostat, belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. Fabatin is a very strong basic compound (based on its pKa). Fabatin has been detected, but not quantified in, broad beans. This could make fabatin a potential biomarker for the consumption of these foods.
CAS Number51-63-8
Structure
Thumb
Synonyms
SynonymSource
(+)-alpha-Methylphenethylamine sulfate (2:1)ChEBI
(+)-AmitreneChEBI
(+)-Amphetamine sulfateChEBI
(+)-Amphetamine sulphateChEBI
(S)-alpha-Methylbenzeneethanamine sulfateChEBI
D-Amphetamine sulfateChEBI
D-Benzedrine sulfateChEBI
D-BetaphedrineChEBI
Dexamphetamine sulfateChEBI
Dextro-1-phenyl-2-amino-propane sulfateChEBI
Dextro-alpha-methylphenethylamine sulfateChEBI
Dextro-beta-phenylisopropylamine sulfateChEBI
Dextro-profetamineChEBI
Dextroamphetamine sulfateChEBI
Dextroamphetamine sulphateChEBI
DexedrineKegg
DextrostatKegg
(+)-a-Methylphenethylamine sulfate (2:1)Generator
(+)-a-Methylphenethylamine sulfuric acid (2:1)Generator
(+)-a-Methylphenethylamine sulphate (2:1)Generator
(+)-a-Methylphenethylamine sulphuric acid (2:1)Generator
(+)-alpha-Methylphenethylamine sulfuric acid (2:1)Generator
(+)-alpha-Methylphenethylamine sulphate (2:1)Generator
(+)-alpha-Methylphenethylamine sulphuric acid (2:1)Generator
(+)-Α-methylphenethylamine sulfate (2:1)Generator
(+)-Α-methylphenethylamine sulfuric acid (2:1)Generator
(+)-Α-methylphenethylamine sulphate (2:1)Generator
(+)-Α-methylphenethylamine sulphuric acid (2:1)Generator
(+)-Amphetamine sulfuric acidGenerator
(+)-Amphetamine sulphuric acidGenerator
(S)-a-Methylbenzeneethanamine sulfateGenerator
(S)-a-Methylbenzeneethanamine sulfuric acidGenerator
(S)-a-Methylbenzeneethanamine sulphateGenerator
(S)-a-Methylbenzeneethanamine sulphuric acidGenerator
(S)-alpha-Methylbenzeneethanamine sulfuric acidGenerator
(S)-alpha-Methylbenzeneethanamine sulphateGenerator
(S)-alpha-Methylbenzeneethanamine sulphuric acidGenerator
(S)-Α-methylbenzeneethanamine sulfateGenerator
(S)-Α-methylbenzeneethanamine sulfuric acidGenerator
(S)-Α-methylbenzeneethanamine sulphateGenerator
(S)-Α-methylbenzeneethanamine sulphuric acidGenerator
D-Amphetamine sulfuric acidGenerator
D-Amphetamine sulphateGenerator
D-Amphetamine sulphuric acidGenerator
D-Benzedrine sulfuric acidGenerator
D-Benzedrine sulphateGenerator
D-Benzedrine sulphuric acidGenerator
Dexamphetamine sulfuric acidGenerator
Dexamphetamine sulphateGenerator
Dexamphetamine sulphuric acidGenerator
Dextro-1-phenyl-2-amino-propane sulfuric acidGenerator
Dextro-1-phenyl-2-amino-propane sulphateGenerator
Dextro-1-phenyl-2-amino-propane sulphuric acidGenerator
Dextro-a-methylphenethylamine sulfateGenerator
Dextro-a-methylphenethylamine sulfuric acidGenerator
Dextro-a-methylphenethylamine sulphateGenerator
Dextro-a-methylphenethylamine sulphuric acidGenerator
Dextro-alpha-methylphenethylamine sulfuric acidGenerator
Dextro-alpha-methylphenethylamine sulphateGenerator
Dextro-alpha-methylphenethylamine sulphuric acidGenerator
Dextro-α-methylphenethylamine sulfateGenerator
Dextro-α-methylphenethylamine sulfuric acidGenerator
Dextro-α-methylphenethylamine sulphateGenerator
Dextro-α-methylphenethylamine sulphuric acidGenerator
Dextro-b-phenylisopropylamine sulfateGenerator
Dextro-b-phenylisopropylamine sulfuric acidGenerator
Dextro-b-phenylisopropylamine sulphateGenerator
Dextro-b-phenylisopropylamine sulphuric acidGenerator
Dextro-beta-phenylisopropylamine sulfuric acidGenerator
Dextro-beta-phenylisopropylamine sulphateGenerator
Dextro-beta-phenylisopropylamine sulphuric acidGenerator
Dextro-β-phenylisopropylamine sulfateGenerator
Dextro-β-phenylisopropylamine sulfuric acidGenerator
Dextro-β-phenylisopropylamine sulphateGenerator
Dextro-β-phenylisopropylamine sulphuric acidGenerator
Dextroamphetamine sulfuric acidGenerator
Dextroamphetamine sulphuric acidGenerator
DextroamphetamineMeSH
OxydessMeSH
Dextro amphetamineMeSH
DexamphetamineMeSH
Dextro-amphetamine sulfateMeSH
DexamfetamineMeSH
CurbanMeSH
Dextro-amphetamineMeSH
Dextro amphetamine sulfateMeSH
D Amphetamine sulfateMeSH
D-AmphetamineMeSH
Sulfate, dextroamphetamineMeSH
D AmphetamineMeSH
Celltech brand OF dextroamphetamine sulfateMeSH
GlaxoSmithKline brand OF dextroamphetamine sulfateMeSH
Mallinckrodt brand OF dextroamphetamine sulfateMeSH
Pasadena brand OF dextroamphetamineMeSH
Shire brand OF dextroamphetamine sulfateMeSH
Vortech brand OF dextroamphetamine sulfateMeSH
Predicted Properties
PropertyValueSource
Water Solubility1.74 g/LALOGPS
logP1.85ALOGPS
logP1.8ChemAxon
logS-1.9ALOGPS
pKa (Strongest Basic)10.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity43.71 m³·mol⁻¹ChemAxon
Polarizability16.08 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC18H28N2O4S
IUPAC namebis((2S)-1-phenylpropan-2-amine); sulfuric acid
InChI IdentifierInChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1
InChI KeyPYHRZPFZZDCOPH-QXGOIDDHSA-N
Isomeric SMILESOS(O)(=O)=O.[H][C@@](C)(N)CC1=CC=CC=C1.[H][C@@](C)(N)CC1=CC=CC=C1
Average Molecular Weight368.49
Monoisotopic Molecular Weight368.176978564
Classification
Description belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentAmphetamines and derivatives
Alternative Parents
Substituents
  • Amphetamine or derivatives
  • Phenylpropane
  • Aralkylamine
  • Sulfuric acid
  • Organic sulfuric acid or derivatives
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0009000000-fec3bbe3eb386cdfd10bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0009000000-fec3bbe3eb386cdfd10bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0009000000-fec3bbe3eb386cdfd10bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0009000000-c2f38c8b687ddc4e3bcfJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0009000000-c2f38c8b687ddc4e3bcfJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0009000000-c2f38c8b687ddc4e3bcfJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHNM68-R:HNM68-R
EAFUS IDNot Available
Dr. Duke IDFABATIN
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anti bacterial33282 A substance that kills or slows the growth of bacteria.DUKE
Gram(+)icide33282 A substance that kills or slows the growth of bacteria.DUKE
Gram(-)icide33282 A substance that kills or slows the growth of bacteria.DUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).