CAS 14984-68-0|Cloperastine hydrochloride|氯哌斯丁|cloperastine hydrochloride|咳平盐酸盐|1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine hydrochloride|Seki|Sekison|Nitossil|Sekin|1-{2-[(4-ch...

Molecular Formula

C₂₀H₂₅Cl₂NO

Molecular Mass

366.3246

Exact Mass

365.13131979

InChI

InChI=1S/C20H24ClNO.ClH/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H

InChIKey

UNPLRYRWJLTVAE-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)C(c1ccccc1)OCCN1CCCCC1.Cl

Isomeric Smiles

c1ccc(cc1)C(c1ccc(cc1)Cl)OCCN1CCCCC1.Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0060399

LogD (pH = 7.4)

3.6740062

Log P

5.106318

Molar Refractivity

96.8738

Polarizability

38.01086

Polar Surface Area

12.47

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

161104

Synonyms

Cloperastine hydrochloride氯哌斯丁咳平盐酸盐SekiSekisonNitossilSekinHustazol

IUPAC Traditional name

cloperastine hydrochloride 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine hydrochloride

IUPAC name

1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine hydrochloride

CAS Number

14984-68-0

PubChem SID

24892462162225007

MDL Number

MFCD00079012

Safety Information

GHS Signal Word

Warning

GHS Hazard statements

H302

Safety Statements

European Hazard Symbols

Harmful (Xn)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

RTECS

TM6491500

Product Information

Grade

analytical standard, for drug analysis

Salt Data

HCl

Application(s)

Antitussive, cough suppressant

Pharmacology Properties

Mechanism of Action

Antihistamine

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From Data Sources

• Eur. Pat., 1990, Magis Farmaceutici, 385 491; CA, 114, 101746a, (resoln)

• U.K. Pat., 1970, Yoshitomi, 1 179 945; CA, 72, 132549g, (synth)

• Arnold, H. et al., Arzneim.-Forsch., 1954, 4, 189, (synth, pharmacol)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, CMX800

• Canti, G. et al., Boll. Chim. Farm., 1983, 122, 384, (tox, pharmacol)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 745

Academic Data

PubChem

161104

Synonyms

Cloperastine hydrochloride氯哌斯丁咳平盐酸盐SekiSekisonNitossilSekinHustazol

IUPAC Traditional name

cloperastine hydrochloride 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine hydrochloride

IUPAC name

1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine hydrochloride

CAS Number

14984-68-0

PubChem SID

24892462162225007

MDL Number

MFCD00079012

Safety Information

GHS Signal Word

Warning

GHS Hazard statements

H302

Safety Statements

European Hazard Symbols

Harmful (Xn)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Risk Statements

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

RTECS

TM6491500

Product Information

Grade

analytical standard, for drug analysis

Salt Data

HCl

Application(s)

Antitussive, cough suppressant

Pharmacology Properties

Mechanism of Action

Antihistamine

From Data Sources

• Eur. Pat., 1990, Magis Farmaceutici, 385 491; CA, 114, 101746a, (resoln)

• U.K. Pat., 1970, Yoshitomi, 1 179 945; CA, 72, 132549g, (synth)

• Arnold, H. et al., Arzneim.-Forsch., 1954, 4, 189, (synth, pharmacol)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, CMX800

• Canti, G. et al., Boll. Chim. Farm., 1983, 122, 384, (tox, pharmacol)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 745

Molecule

ID:130729