UCSF

ZINC00002281

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: Terbutaline Terbutaline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23031-25-6 , 23031-32-5 , 23031-32-5, 23031-25-6 [t , 23031-32-5, 23031-25-6 [terbutaline] , [23031-32-5]

Other Names:

(+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol

(+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol; (+-)-Terbutaline; 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (+-)-; LS-29961

(+-)-alpha-((tert-Butylamino)methyl)-3,5-dihydroxybenzyl alcohol sulfate (2:1) (salt); 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, sulfate (2:1) (salt); 1-(3,5-Dihydroxyphenyl)-2-tert-butylaminoethanol sulphate; BRETHAIRE; BRETHINE

(+-)-Terbutaline

1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-

1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- (9CI)

1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (+-)-

1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-; 5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol; BR

1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-

23031-25-6

23031-25-6; Asthmasian (TN); D08570; Terbutaline (INN)

23031-25-6; C07129; Terbutaline

23031-32-5 (Sulfate)

23031-32-5; Brethine (TN); D00688; Terbutaline sulfate (JP16/USP)

23031-32-5; CPD001496939; SAM002589944; Terbutaline Sulfate

23031-32-5; Prestwick_598; Terbutaline hemisulfate

46719-29-3

5- benzene-1,3-diol

5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL

5-(2-(tert-Butylamino)-1-hydroxyethyl)benzene-1,3-diol

5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol

5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol

AB00053548

AC1L1KA2

Asthmasian

Asthmasian (TN)

Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy-

Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy-

BPBio1_000663

BRD-A50157456-065-02-4

Brethaire

Brethine

Brican

Bricanyl

Bricar

Bricaril

Bricyn

BRN 2370513

BSPBio_000601

BSPBio_002066

C07129

CHEMBL1760

CID5403

CPD001496939; SAM002589944; Terbutaline Sulfate

D08570

DAP000246

DB00871

DivK1c_000078

EINECS 245-385-8

I01-3464

IDI1_000078

INN)

INN); Terbutaline Sulfate (FDA

JAN

KBio1_000078

KBio2_001510

KBio2_004078

KBio2_006646

KBio3_001566

KBioGR_001539

KBioSS_001510

KWD 2019

KWD-2019

L000594

LS-29961

LS-7713

MFCD00079584

MFCD00278482

MolPort-003-850-418

N/A

NCGC00016010-06

NCGC00089821-02

NINDS_000078

Oprea1_823972

PDSP1_000158

PDSP2_000157

Prestwick0_000391

Prestwick1_000391

Prestwick2_000391

Prestwick3_000391

SBB063955

SPBio_001453

SPBio_002522

Spectrum2_001327

Spectrum3_000593

Spectrum4_000870

Spectrum5_001262

Spectrum_001030

Terbutalin

Terbutalin;Terbutalina [Dcit];Terbutaline Sulfate;Terbutalino [INN-Spanish];Terbutalinum [INN-Latin]

Terbutalina

Terbutalina [Dcit]

terbutalina; terbutaline; terbutalinum

Terbutaline (BAN

Terbutaline (INN)

Terbutaline (sulfate)

Terbutaline hemisulfate

Terbutaline hemisulfate salt

Terbutaline Sulfate

Terbutaline Sulfate (FDA

Terbutaline [INN:BAN]

Terbutalino

Terbutalino [INN-Spanish]

Terbutalinum

Terbutalinum [INN-Latin]

UNII-N8ONU3L3PG

USAN

USAN)

USP

USP)

USP); Terbutaline (BAN

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 -1.84 -42.19 5 4 1 77 226.296 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.84e+00 g/l DrugBank-approved
Target Adrenergic Receptor Selleck Chemicals
Therapy betaadrenergic agonist, bronchodilator SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-2528; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 sulfuric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-2528; SALT: 1 sulfuric acid; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2510 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 2510 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )