Terbutaline

Details

• Internal ID: e08d491d-560e-42eb-a452-9ffa79a3b1a2
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
• InChI: InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
• InChI Key: XWTYSIMOBUGWOL-UHFFFAOYSA-N
• Popularity: 7,799 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₉NO₃
• Molecular Weight: 225.28 g/mol
• Exact Mass: 225.13649347 g/mol
• Topological Polar Surface Area (TPSA): 72.70 Ų
• XlogP: 0.90

Synonyms

• 23031-25-6
• Terbutalin
• Terbutalina
• Terbutalinum
• Asthmasian
• 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
• 1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
• 5-(2-(tert-Butylamino)-1-hydroxyethyl)benzene-1,3-diol
• N8ONU3L3PG
• CHEBI:9449
• 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL
• DTXSID7021310
• 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-
• 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol
• Butalitab
• Terbutalin ratiopharm
• RefChem:56527
• DTXCID001310
• R03AC03
• R03CC03
• 245-385-8
• Brican
• Bricaril
• Brethine
• Bricar
• Bricyn
• Bricanyl
• Terbutalina [DCIT]
• Terbutalinum [INN-Latin]
• Terbutalino [INN-Spanish]
• Terbutaline (INN)
• Aerodur; Brican; Bricar
• TERBUTALINE HEMISULFATE
• 23031-25-6 (free base)
• (+-)-Terbutaline
• Terbutalino
• 2-t-Butylamino-1-(3,5-dihydroxyphenyl)ethanol
• 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol
• TERBUTALINE [INN]
• Terbutaline [INN:BAN]
• Asthmasian (TN)
• EINECS 245-385-8
• UNII-N8ONU3L3PG
• BRN 2370513
• SR-01000000174
• (+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol
• Bricanyl (Salt/Mix)
• Terbutaline,(+/-)
• Brethaire (Salt/Mix)
• Spectrum_001030
• TERBUTALINE [MI]
• 1164563-86-3
• Prestwick0_000391
• Prestwick1_000391
• Prestwick2_000391
• Prestwick3_000391
• Spectrum2_001327
• Spectrum3_000593
• Spectrum4_000870
• Spectrum5_001262
• 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (+-)-
• TERBUTALINE [VANDF]
• SCHEMBL4391
• CHEMBL1760
• Lopac0_001126
• Oprea1_823972
• BSPBio_000601
• BSPBio_002066
• GTPL560
• KBioGR_001539
• KBioSS_001510
• TERBUTALINE [WHO-DD]
• DivK1c_000078
• SPBio_001453
• SPBio_002522
• BPBio1_000663
• orb2281134
• Terbutaline sulfate (Salt/Mix)
• BDBM25770
• HY-B0802A
• KBio1_000078
• KBio2_001510
• KBio2_004078
• KBio2_006646
• KBio3_001566
• NINDS_000078
• Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy-
• MFCD00278482
• PDSP1_000158
• PDSP2_000157
• AKOS015889885
• CCG-205201
• DB00871
• SDCCGSBI-0051094.P005
• IDI1_000078
• NCGC00016010-03
• NCGC00016010-04
• NCGC00016010-06
• NCGC00016010-16
• NCGC00089821-02
• AS-86376
• FD157433
• SBI-0051094.P004
• Terbutaline 1000 microg/mL in Acetonitrile
• AB00053548
• CS-0013822
• NS00001890
• C07129
• D08570
• EN300-151467
• H37060
• AB00053548_15
• 031T256
• L000594
• Q424340
• SR-01000000174-2
• 1-(3',5'-dihydroxyphenyl)-2-(t-butylamino)-ethanol
• BRD-A50157456-065-02-4
• BRD-A50157456-065-12-3
• BRD-A50157456-065-20-6
• BAMBUTEROL HYDROCHLORIDE IMPURITY A [EPIMPURITY]
• 5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,3-diol
• 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-benzenediol #
• 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol, 5
• Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy-
• 5-[(1RS)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
• 5-[2-[(1,1-Dimethylethyl)-amino]-1-hydroxyethyl]-1,3-benzenediol
• (RS)-5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)BENZENE-1,3-DIOL

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL210	P07550	Beta-2 adrenergic receptor	3162.28 nM	EC50	PMID: 21652207
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	7.9 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.61%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.41%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.22%	98.95%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	92.15%	97.23%
CHEMBL3401	O75469	Pregnane X receptor	90.94%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.24%	99.17%
CHEMBL4208	P20618	Proteasome component C5	83.64%	90.00%
CHEMBL2535	P11166	Glucose transporter	80.83%	98.75%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.45%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5403
• NPASS: NPC322366
• ChEMBL: CHEMBL1760