Heptaminolhydrochlorid

ea-85 · cortensor · cardiosintol · HeptaminolHCl · TIMTEC-BB SBB003737 · heptamylhydrochloride · RP-2831 hydrochloride · Corasore Hydrochloride

Identifikatoren & physikalische Daten

CAS No.	543-15-7
Summenformel	C8H19NO.ClH
Durchschnittliche Molmasse	181,7 g/mol
Monoisotopische Masse	181,12334194 g/mol
SMILES	CC(N)CCCC(C)(C)O.Cl
InChIKey	JZNBMCOSOXIZJB-UHFFFAOYSA-N
PubChem CID	10969
ChEMBL	CHEMBL2107282
EC No.	208-837-5
DTXSID	DTXSID9045891
Lokaler Name	Heptaminolhydrochlorid

Polarare Oberfläche (TPSA)	46,3
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	11
Formalladung	0
Komplexität	91,3
Collision Cross Section	132.2 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	165-167 °C(lit.)
Lagerbedingungen	Store at -20°C
Löslichkeit	Freely soluble in water, soluble in alcohol, practically insoluble in methylene chloride.
Aggregatzustand	Solid
Farbe	White to off-white
Merck	14,4657
BRN	3673011
Hauptanwendungen	pharmaceutical (small molecule)
InChI	1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H31H
InChIKey	JZNBMCOSOXIZJB-UHFFFAOYSA-N
SMILES	Cl.CC(N)CCCC(C)(C)O
CAS Datenbank	543-15-7(CAS DataBase Reference)

GHS-Einstufung	WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 2-Heptanol, 6-amino-2-methyl-, hydrochlorideHeptaminol hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (80%)
Wassergefährdungsklasse (WGK)	3
RTECS-Nr.	MJ3240000
R-Sätze (R)	36/37/38
Toxizität	LD50 intraperitoneal in mouse: 900mg/kg
Gefahrensymbole	Xi
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

Heptaminol Hydrochloride is used in the preparation of drugs for treating cardiovascular and cerebrovascular diseases.