UCSF

ZINC00000494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 Yes

Popular Name: Metipranolol Metipranolol

Find On: PubMed — Wikipedia — Google

CAS Number: 22664-55-7

Other Names:

(+-)-1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate

(+-)-1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate; (RS)-4-(2-Hydroxy-3-isopropylaminopropoxy)-2,3,6-trimethylphenyl acetat; 1-(4-Acetoxy-2,3,5-Trimethylphenoxy)-3-Isopropylamino-2-Propanol; 1-(4-Hydroxy-2,3,5-trimethylpheno

(+-)-metipranolol; Metipranolol

(RS)-4-(2-Hydroxy-3-isopropylaminopropoxy)-2,3,6-trimethylphenyl acetat

olol

1-(4-Acetoxy-2,3,5-Trimethylphenoxy)-3-Isopropylamino-2-Propanol

1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate

2-Propanol, 1-(4-hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-, 4-acetate

22664-55-7

22664-55-7; C07915; Metipranolol

22664-55-7; D02374; Metipranolol (USAN/INN)

3-[4-(acetyloxy)-2,3,5-trimethylphenoxy]-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride; Metipranolol hydrochloride; metipranolol HCl

38202-74-3

4-(2-Hydroxy-3-((1-methylethyl)-amino)propoxy)-2,3,6-trimethylphenol 1-acetate

4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate

62164P

AC1L1LOH

AC1Q60JH

BM-01004

BM-01004; VUAB-6453; VUAB6453 (SPOFA)

BRN 2152010

C07915

CHEBI:355221

CHEBI:6897

CHEMBL1291

CID31477

D014290

D02374

DAP000480

DB01214

Disorat

EINECS 245-151-5

INN

L001291

LS-104701; Metipranolol hydrochloride; OptiPranolol; Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, (+-)-, 1-acetate, hydrochloride

LS-122351

Methypranol

Metipranolol (BAN

Metipranolol (USAN/INN)

Metipranolol hydrochloride

Metipranolol Hydrochloride (FDA); Metipranolol (BAN

Metipranolol [USAN:BAN:INN]

metipranolol; metipranololum

Metipranololum

Metipranololum [INN-Latin]

MFCD00864567

MolPort-001-801-890

NCGC00159498-02

NCGC00159498-03

OptiPranolol

Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, (+-)-, 1-acetate

Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate

Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2,3,6-trimethyl-, 1-acetate (9CI)

phenol, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2,3,6-trimethyl-, 1-acetate

Trimepranol

Turoptin

UNII-X39AL81KEB

USAN)

USAN); Metipranolol HCl (FDA)

VUAB-6453

VUFB-6453

[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate

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) 2.49 6.17 -46.22 3 5 1 72 310.414 8 ↓
Hi High (pH 8-9.5) 2.49 4.97 -10.53 2 5 0 68 309.406 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.73e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0077529A2; EP0329948A2; US4291016; US4510150; US4810697; US4942161; US5086061 IBM Patent Data

Activity (Go SEA)

Rings

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