Chlorcyclizin

Perazyl · Histantin · Trihistan · Alergicide · Di-paralen · Histantine · piparalene · Chlorcycline

Identifikatoren & physikalische Daten

CAS No.	82-93-9
Summenformel	C18H21ClN2
Durchschnittliche Molmasse	300,8 g/mol
Monoisotopische Masse	300,13932635 g/mol
SMILES	CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey	WFNAKBGANONZEQ-UHFFFAOYSA-N
PubChem CID	2710
ChEMBL	CHEMBL22150
ChEBI	CHEBI:94402
EC No.	201-446-0
DTXSID	DTXSID9048011
Lokaler Name	Chlorcyclizin

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	6,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	21
Formalladung	0
Komplexität	300
LogP (Verteilungskoeffizient)	LogP = 3.454.15
Color/Form	Oil
Löslichkeit	1 G SOL IN ABOUT 2 ML H2O, 11 ML ALC1 G SOL IN ABOUT 4 ML CHLOROFORMPRACTICALLY INSOL IN ETHER, BENZENE /CHLORCYCLIZINE HYDROCHLORIDE/FREELY SOL IN WATERSOL IN ALC /CHLORCYCLIZINE DIHYDROCHLORIDE/300.8mg/L(37.5 ºC)
Flammpunkt	No Data
Human Drugs	Pharmaceuticals
Siedepunkt	137-145 °C @ 0.1-0.15 MM HGbp0.1-0.15 137-145°
Schmelzpunkt	MP: 226-227 °C /CHLORCYCLIZINE HYDROCHLORIDE/25°C
Dissociation Constants	PKA(1)= 7.81 & PKA(2)= 2.43
Collision Cross Section	172.21 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Other Experimental Properties	ODORLESS OR ALMOST ODORLESSITS SOLN ARE ACID TO LITMUSPH (1 IN 100 SOLN) BETWEEN 4.8 & 5.5 /CHLORCYCLIZINE HYDROCHLORIDE/AQ SOLN IS ACID TO LITMUS /CHLORCYCLIZINE DIHYDROCHLORIDE/WHITE, CRYSTALLINE POWDER /CHLORCYCLIZINE HYDROCHLORIDE/PRISMS FROM ALCOHOL PLUS ETHER /CHLORCYCLIZINE DIHYDROCHLORIDE/Solutions acid to litmus, pH (1 to 100 solution) 4.8-5.5 /Chlorcyclizine hydrochloride/
Dichte	1.0732 (rough estimate)
Brechungsindex	1.5749 (estimate)
Lagerbedingungen	Store at -20°C
pKa (Säurekonstante)	pKa 2.43(H2O t = 25 c = 0.002 to 0.01)(Approximate)7.81(H2O t = 25 c = 0.002 to 0.01) (Uncertain)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
FDA-Anforderungen	Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392).
Hazard Classes and Categories	Acute Tox. 4 (100%)
Entsorgungsverfahren	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Wechselwirkungen	SEVERAL REVIEWS BRIEFLY MENTIONED THAT ANTIHISTAMINES INTERFERE WITH ANTICOAGULANT THERAPYHOWEVER, NO DOCUMENTATION WAS PRESENTED, NO CASE REPORTS OF ANTICOAGULATION PROBLEMS CAUSED BY ANTIHISTAMINES HAVE APPEARED. /ANTIHISTAMINES/TERATOGENICITY OF CHLORCYCLIZINE IN MICE...IS DIMINISHED BY PRE-TREATMENT EITHER WITH SKF 525A /PROADIFEN/ OR WITH PHENOBARBITONE, & MORE THAN ONE BIOTRANSFORMATION MUST BE INVOLVED.Plocamadine A (1 ug/ml) produced a slow onset, sustained contraction of the guinea-pig isolated ileum. This was insensitive to atropine (1 umol/l) and tetrodotoxin (1 umol/L), but was significantly reduced by H1-histamine receptor antagonists including mepyramine (10 nmol/l), chlorcyclizine (10 nmol/l) and diphenhydramine (0.1 umol/l).A method to determine whether chlorcyclizine hydrochloride (I) antihistamine activity could be demonstrated when I was applied topically in combo with 0.5% hydrocortisone acetate (MantadilII) cream was described. Hydrocortisone 5%, II, and placebo cream were studied in 30 subjects. The data indicated that a wheal and flare reaction induced in the subjects was decr by the I component of the combo. /Chlorcyclizine hydrochloride/
Human Toxicity Excerpts	...NO EVIDENCE OF HARM TO HUMAN FETUS HAS BEEN REPORTED DESPITE WIDE USE OVER...PAST 15 YEARS.