UCSF

ZINC00000637

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 17 Yes

Popular Name: Maxair Maxair

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38029-10-6 , 38677-81-5

Other Names:

(+-)-Pirbuterol hydrochloride; 2,6-Pyridinedimethanol, alpha-6-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, monohydrochloride, (+-)-; LS-131418

terol

2,6-Pyridinedimethanol, alpha(sup 6)-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, monoacetate (salt); C12H20N2O3.C2H4O2; CP-24,314-14; EINECS 265-862-4; LS-176467; MAXAIR; PIRBUTEROL ACETATE; Pirbuterol acetate [USAN]; alpha(sup 6)-((tert-Butylamino)met

2-hydroxymethyl-3-hydroxy-6-(1-hydroxy-2-tert-butylamino ethyl)pyridine, dihydrochloride

2-hydroxymethyl-3-hydroxy-6-(1-hydroxy-2-tert-butylamino ethyl)pyridine, dihydrochloride; 2-tert-Butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)ethanol; C12H20N2O3; CP 24315-1; CP-24,314-1; CP-24,314-14; CP-24315-1; Ethanol, 2-tert-butylamino-1-(5-hydr

2-tert-Butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)ethanol

38029-10-6 (di-hydrochloride)

38029-10-6; 6-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)-3-pyridinol; nsc355078

38029-10-6; D01349; Pirbuterol hydrochloride (JAN/USAN)

38677-81-5

38677-81-5; C07807; Pirbuterol

38677-81-5; D08387; Pirbuterol (INN)

6-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)-3-pyridinol

6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol

65652-44-0 (acetate)

AC1L1J32

C07807

C12H20N2O3

CHEMBL1094966

CID4845

CP 24315-1

CP-24,314-1

CP-24,314-14

CP-24314-1

CP-24314-14

CP-2431414; CP-24314-14; CP-24314-1

CP-24315-1

D08387

DAP000249

DB01291

Ethanol, 2-tert-butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)-

Exirel

INN); Pirbuterol Acetate (FDA

INN); Pirbuterol Hydrochloride (JAN

L013424

LS-66540

NCI60_003197

Pirbuterol

Pirbuterol (BAN

Pirbuterol (INN)

Pirbuterol Acetate

Pirbuterol Acetate (FDA

pirbuterol acetate salt

Pirbuterol hydrochloride

Pirbuterol [INN:BAN]

Pirbuterolum

Pirbuterolum [inn-latin]

pyrbuterol

UNII-OG645J8RVW

USAN)

USAN); Pirbuterol (BAN

USAN); Pirbuterol HCl (JAN

Download: MOL2 SDF SMILES Flexibase

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) 0.45 -3.63 -38.01 5 5 1 90 241.311 5 ↓
Mid Mid (pH 6-8) 0.45 -2.87 -57.68 4 5 0 93 240.303 5 ↓
Lo Low (pH 4.5-6) 0.45 -2.81 -93.53 6 5 2 91 242.319 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.22e+00 g/l DrugBank-approved

Activity (Go SEA)

Rings

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