Terbutaline
PubChem CID: 5403
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| Compound Synonyms | terbutaline, 23031-25-6, Terbutalin, Brican, Brethine, Bricaril, Terbutalina, Terbutalinum, Bricar, Bricyn, Bricanyl, Brethaire, Terbutalina [DCIT], Asthmasian, Terbutalinum [INN-Latin], Terbutalino [INN-Spanish], 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, TERBUTALINE HEMISULFATE, Terbutaline (INN), CHEBI:9449, KWD-2019, Aerodur, Brican, Bricar, 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL, DTXSID7021310, 23031-25-6 (free base), (+-)-Terbutaline, Terbutalino, Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy-, 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol, TERBUTALINE [INN], Terbutaline [INN:BAN], (RS)-5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)BENZENE-1,3-DIOL, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol, 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, DTXCID001310, Terbutaline sulfate (Salt/Mix), BDBM25770, HY-B0802A, KBio1_000078, KBio2_001510, KBio2_004078, KBio2_006646, KBio3_001566, R03AC03, R03CC03, NINDS_000078, 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, AB00053548_15, 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, 5-(1-hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol, BAMBUTEROL HYDROCHLORIDE IMPURITY A [EPIMPURITY], 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, 245-385-8 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q28044, P07550, O15245, n.a., O15648, O89049, P15289, O95342, Q92887, O15438, O15439 |
| Iupac Name | 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT226 |
| Xlogp | 0.9 |
| Molecular Formula | C12H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XWTYSIMOBUGWOL-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.947 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.011 |
| Compound Name | Terbutaline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8172856 |
| 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 |
| Smiles | CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all