Verapamilhydrochlorid

manidon · cordilox · izoptinhydrochloride · lu20175 · Rositol · finoptin · Hormitol · Magotiron

https://huagongshe.com/de/chemical/62969

Molekülstruktur von Verapamilhydrochlorid

Identifikatoren & physikalische Daten

CAS No.	152-11-4
Summenformel	C27H39ClN2O4
Durchschnittliche Molmasse	491,1 g/mol
Monoisotopische Masse	490,2598354 g/mol
SMILES	COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
InChIKey	DOQPXTMNIUCOSY-UHFFFAOYSA-N
PubChem CID	62969
ChEMBL	CHEMBL1280
EC No.	205-800-5
DTXSID	DTXSID2034095
Lokaler Name	Verapamilhydrochlorid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	64
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	13
Schwere Atome	34
Formalladung	0
Komplexität	606
Collision Cross Section	208.9 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	142 °C (dec.)(lit.)
Dichte	1.0596 (rough estimate)
Brechungsindex	1.6290 (estimate)
Flammpunkt	9℃
Lagerbedingungen	2-8°C
Löslichkeit	H2O: >30 mg/mLsoluble
pKa (Säurekonstante)	8.6(at 25℃)
Aggregatzustand	solid
Farbe	white
Merck	14,9950
BRN	3647093
BCS Class	2
Stabilität	Stable for 2 years from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 3 months.
InChI	1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H31H
InChIKey	DOQPXTMNIUCOSY-UHFFFAOYSA-N
SMILES	Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
CAS Datenbank	152-11-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311 (10.4%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]H301 (99.6%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (15.6%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (77%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (18.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (18.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (60%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (18.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (17.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 270 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Verapamil hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, monohydrochloride: Human health tier I assessmentIMAP assessments - Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, monohydrochloride: Environment tier I assessment

Anwendungen & Verwendung

Verwenden

analgesic, antipyretic