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Celiprolol Hydrochloride

HCID 42373
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Basic information

CAS
57470-78-7
Standard SMILES
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1.Cl
InChIKey
VKJHTUVLJYWAEY-UHFFFAOYSA-N
Molecular formula
C20H34ClN3O4
Average molar mass
416 g/mol
Monoisotopic mass
415.2237843

Overview

Celiprolol hydrochloride is an aromatic ketone.

Names & identifiers

Preferred name
Celiprolol Hydrochloride
IUPAC
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
English name
Celiprolol hydrochloride
Molecular formula
C20H34ClN3O4
Molecular weight
415.95

Names & synonyms

CELIPROLOL HYDROCHLORIDE57470-78-7Celiprolol HClSelectolCelectolSelecorDTXSID0046850ACER002NSC-324509ACER-002DTXCID8026850G1M3398594
Show more names
ffhclCeltop4'-DDEST 1396SrontacsCorliprolREV 5320Arhc-5320a
Celiprolol MonohydrochlorideHydrochloride, CeliprololRefChem:918200Monohydrochloride, Celiprolol260-752-2Celipolol HydrochlorideCeliprolol (hydrochloride)Celiprolol hydrochloride [USAN]

Database identifiers

CAS
57470-78-7
PubChem CID
42373
DTXSID
DTXSID0046850
ChEMBL
CHEMBL1742424
ChEBI
CHEBI:31385
UNII
G1M3398594
EC Number
260-752-2

Properties

Computed structural properties

Topological polar surface area
90.9 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
28
Formal charge
0
Complexity
474

Physicochemical properties

Melting point
197 · 197-200°C (dec.)
RTECS
6560000 · YR6560000
storage temp.
Refrigerator
solubility
Freely soluble in water and in methanol, soluble in ethanol (96 per cent), very slightly soluble in methylene chloride.
form
Solid
color
White to Off-White
Water Solubility
Soluble in ethanol, methanol and water
InChI
1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
InChIKey
VKJHTUVLJYWAEY-UHFFFAOYSA-N
SMILES
[Cl-].N(CC)(CC)C(=O)Nc1cc(c(cc1)OCC(O)CNC(C)(C)C)C(=O)C.[H+]
CAS DataBase Reference
57470 · 57470-78-7(CAS DataBase Reference)
FDA UNII
1 M3398594 · G1M3398594
UNSPSC Code
12352200 · 12352200
NACRES
77 · NA.77
Protein binding
25 % · 25%
Excreted unchanged in urine
12 · 12-18%
Volume of distribution
4.5 · 4.5(L/kg)
Biological half-life
5 · 5-6 / Unchanged
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
303 · H303
Precautionary statements
270 · P270-P301+P312-P403-P501c
WGK Germany
3 · WGK 3
Storage Class
11 · 11 - Combustible Solids
Toxicity
50 in · LD50 in male mice, rats (mg/kg): 56.2, 68.3 i.v.; 1834, 3826 orally (Wendtlandt, Pittner)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.

H412 (98.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCeliprolol hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (98.1%)

Safety data

wgk
WGK 3
Toxicity
LD50 in male mice, rats (mg/kg): 56.2, 68.3 i.v.; 1834, 3826 orally (Wendtlandt, Pittner)
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H303
Precautionary statements
P270-P301+P312-P403-P501c

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 5 items

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.

Drugs used to cause dilation of the blood vessels.

Drugs that bind to and block the activation of ADRENERGIC BETA-1 RECEPTORS.

Applications · 4 items

DescriptionCeliprolol hydrochloride is a once-daily, cardioselective β-adrenergic blocker useful in the management of hypertension, angina pectoris and hyperkinetic heart syndrome. It is also being evaluated in glaucoma.

UsesCardioselective 1-adrenergic blocker. Antihypertensive, antianginal

UsesCardioselective β1-adrenergic blocker. Antihypertensive, antianginal.

Usesantihypertensive antianginal;beta blocker

Suppliers52 total

北京华美互利生物化工010-56205725 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
南京罗迈美生物科技有限公司[email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
铭龙(咸宁)医药有限公司186-7296-9259 18771307593 · [email protected]
重庆卡兰医药有限公司[email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]

Additional notes

DefinitionChEBI: Celiprolol hydrochloride is an aromatic ketone.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes