Arformoterol

Basic Info

FADB-China IDC0176
Substance NameBeta stimulants
Substance Chinese NameΒ-兴奋剂类药物
Molecular NameArformoterol
Molecular Chinese Name福莫特罗
2D StructureNo image
CAS Number67346-49-0
PubChem CID3083544
FormulaC19H24N2O4
IUPAC NameN-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
InChI KeyBPZSYCZIITTYBL-YJYMSZOUSA-N
InChIInChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
Canonical SMILES

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O

Isomeric SMILES

C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O

CFM-ID 3.0URL Link
Related linksPlanting/breeding
Addition PurposesIncrease lean meat percentage
Molecular Synonyms
        
            Arformoterol
        
            Formoterol
        
            (R,R)-Formoterol
        
            67346-49-0
        
            73573-87-2
        
            Brovana
        
            Foradil
        
            Atimos
        
            (-)-Formoterol
        
            UNII-F91H02EBWT
Data UploaderMinQing Cai
Update DateAug 02, 2019 11:50

Properties

Property NameProperty Value
Molecular Weight344.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity388
Monoisotopic Mass344.17360726
Exact Mass344.17360726
XLogP1.8
Formal Charge0
Heavy Atom Count25
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB-0.8026
Human Intestinal AbsorptionHIA+0.8991
Caco-2 PermeabilityCaco2-0.6916
P-glycoprotein SubstrateSubstrate0.7470
P-glycoprotein InhibitorNon-inhibitor0.8773
Non-inhibitor0.8561
Renal Organic Cation TransporterNon-inhibitor0.8818
Distribution
Subcellular localizationMitochondria0.7680
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7140
CYP450 2D6 SubstrateNon-substrate0.7086
CYP450 3A4 SubstrateSubstrate0.5556
CYP450 1A2 InhibitorNon-inhibitor0.6609
CYP450 2C9 InhibitorNon-inhibitor0.9070
CYP450 2D6 InhibitorInhibitor0.8931
CYP450 2C19 InhibitorInhibitor0.8994
CYP450 3A4 InhibitorNon-inhibitor0.8757
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.8442
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9611
Non-inhibitor0.6602
AMES ToxicityNon AMES toxic0.7517
CarcinogensNon-carcinogens0.8704
Fish ToxicityHigh FHMT0.9609
Tetrahymena Pyriformis ToxicityHigh TPT0.9469
Honey Bee ToxicityLow HBT0.7820
BiodegradationNot ready biodegradable0.9920
Acute Oral ToxicityIII0.6770
Carcinogenicity (Three-class)Non-required0.6926

ADMET -- Regression

Model Value Unit
Aqueous solubility-3.7514LogS
Caco-2 Permeability0.3475LogPapp, cm/s
Rat Acute Toxicity2.4047LD50, mol/kg
Fish Toxicity0.6216pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.4807pIGC50, ug/L

Related Foods

FADB-China ID F0070
Food Image No Pictures
Food Name Pork, red meat and liver
Food Chinese Name 猪肉、牛羊肉及肝脏
Food Type Non-processed food
References List of non-edible substances that may be illegally added in food (fourth batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Arformoterol Tartrate		 

National Health Commission of the People's Republic of China

Link

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (fourth batch)