UCSF

ZINC00002176

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 21 No

Popular Name: Timolol Timolol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26839-75-8 , 26921-17-5 , 29023-48-1 , 32986-56-4 , [26839-75-8] , [26921-17-5] , [32986-56-4]

Other Names:

(-)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate; (S)-timolol hydrogen maleate; timolol hydrogen maleate; timolol maleate

(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole; (2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol; (S)-1-(1,1-(dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-p

(-)-3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole; (S)-1-(1,1-(Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol; (S)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol; 2-Prop

(1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside

(r)-1-(tert-butylamino)-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy)propan-2-ol

(S)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol hemihydrate; 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hemihydrate, (S)-; 2C13H24N4O3S.H2O; BETIMOL; LS-178152; Timolol; Timol

(S)-1-tert-Butylamino-3-(4-morpholin-4-yl-[1,2,5]thiadiazol-3-yloxy)-propan-2-ol

(S)-timolol (anhydrous)

(S)-timolol hemihydrate

(s)-Timolol maleate

olol

1-(tert-butylamino)-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol

1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol

2-propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-

26839-75-8; Betimol (TN); D08600; Timolol (INN); Timolol (TN)

26839-75-8; C07141; Timolol

26921-17-5; Blocadren (TN); D00603; Istalol (TN); Timolol maleate (JP16/USP); Timoptic (TN)

Apo-Timol

Apo-Timop

Aquanil

BAN

Betim

Betime

Betimol

Blocadren

Blocadren; Timoptic

BRD-A31916785-103-01-0

CHEBI:108531; CHEBI:108311

CPD001456519; S(-)-Timolol maleate; SAM002564238

CPD001456519; S(-)-Timolol maleate; SAM002564238; timolol

DNC001418

FDA

HYDROCHLOROTHIAZIDE; LS-187977; TIMOLIDE 10-25; TIMOLOL MALEATE

INN

Istalol

JAN

MFCD00058356

MFCD00864565

MFCD08673487

N/A

Novo-Timol

Nu-Timolol

Optimol

Phoxal-timolol

Proflax

QA-4593

S(-)-Timolol maleate

TEI-8362

Temserin

Tenopt

Tim-AK

Timacar

Timacor

Timolol (BAN

Timolol (FDA

timolol hemihydrate; timolol.0.5H2O

Timolol maleate

Timolol maleate salt

Timolol maleate;Timololum [INN-Latin]

Timololum [INN-Latin]

Timopic

Timoptic

Timoptic in Ocudose

Timoptic OcuDose

Timoptic-XE

Timoptol

Tobramycin

Tobramycin, Antibiotic for Culture Media Use Only

USAN

USAN)

USAN); Timolol Maleate (FDA

USAN); Timolol Maleate (JAN

USP

USP)

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) 1.11 -0.81 -39.78 3 7 1 84 317.435 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.69e-01 g/l DrugBank-approved
Target Adrenergic Receptor Selleck Chemicals
biological_use Anti-arrhythmia agent IBScreen Bioactives IBScreen Bioactives
biological_use Anti-arrhythmia agent; Antihypertensive agent; Ophthalmic use (reduces intraocular pressure) ZereneX Building Blocks
biological_use Antihypertensive agent IBScreen Bioactives
Therapy beta Adrenoceptor antagonist; antihypertensive; antiarrhythmic; antiglaucoma agent SMDC Iconix
Patent Database Links EP1785144; US2007037821; US2007249731; US2008275093; WO2005023183; WO2005030135; WO2005060603; WO2006055542; WO2006078995; WO2006093864; WO2006099058 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-7269; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER NIH Clinical Collection via PubChem
mechanism Non-selective beta-adrenergic antagonist IBScreen Bioactives
biological_use Ophthalmic use (reduces intraocular pressure) IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-7269; SUPPLIER_COMMENTS: OFF-WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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