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2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)

HCID 27072
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
15148-80-8
Standard SMILES
Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1.Cl
InChIKey
WJUUZHQWGKSLIJ-UHFFFAOYSA-N
Molecular formula
C14H23Cl2NO2
Average molar mass
308.2 g/mol
Monoisotopic mass
307.1105844

Overview

Bupranolol hydrochloride is an aromatic ether.

Names & identifiers

Preferred name
2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)
IUPAC
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol;hydrochloride
English name
3-(tert-butylamino)-1-[(6-chloro-m-tolyl)oxy]propan-2-ol hydrochloride
Molecular formula
C14H22ClNO2.ClH
Molecular weight
308.24

Names & synonyms

bupranolol hydrochlorideBupranolol HCl15148-80-8BetadranPanimitLooserB 1312DTC2G3GDPLDTXSID50904544B-1312RefChem:1064253DTXCID701333683
Show more names
KL 255dl-KL 255(-)-KL 255SKF 16805A(+-)-Kl 255
(2RS)-3-(2-Chloro-5-methylphenoxy)-1-(1,1-dimethylethyl)aminopropan-2-ol monohydrochloride2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)239-208-3BetadrenolBupranolol hydrochloride [JAN]Bupranolol (hydrochloride)1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol hydrochloride3-(tert-Butylamino)-1-[(6-chloro-m-tolyl)oxy]propan-2-ol hydrochloride

Database identifiers

CAS
15148-80-8
PubChem CID
27072
DTXSID
DTXSID50904544
ChEBI
CHEBI:31323
UNII
DTC2G3GDPL
EC Number
239-208-3

Properties

Computed structural properties

Topological polar surface area
41.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
242

Physicochemical properties

Melting point
220 · 220-222°
FDA UNII
2 G3GDPL · DTC2G3GDPL

Chemistry & industry

Applications · 1 item

UsesBupranolol hydrochloride is a non-selective β-adrenergic blocker with potent membrane stabilizing activity. Bupranolol hydrochloride is able to significantly modulate the contractile activity of the non-pregnant human uterus. Bupranolol hydrochloride showed significant effects on spontaneous uterine contractions in an in vitro study in patients with ovarian cancer. Bupranolol hydrochloride is similar in potency to propranolol, another β-adrenergic blocker. Bupranolol hydrochloride is rapidly and completely absorbed in vivo, and its major metabolite is carboxybupranolol[1].

Suppliers5 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

Additional notes

DefinitionChEBI: Bupranolol hydrochloride is an aromatic ether.

Related reactions

1 records
New reaction record
HRID 1193475 reaction equation
HRID 1193475As productuspto-grants-1989_03

Compound notes

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