17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

Identifikatoren & physikalische Daten

CAS No.	136781-89-0
Summenformel	C29H41NO4
Durchschnittliche Molmasse	467,6 g/mol
Monoisotopische Masse	467,30355879 g/mol
SMILES	COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5
InChIKey	RMRJXGBAOAMLHD-UHFFFAOYSA-N
PubChem CID	2476
ChEMBL	CHEMBL3580442
EC No.	802-948-8
DTXSID	DTXSID60860647

Chemische & physikalische Eigenschaften

XLogP	5
Polarare Oberfläche (TPSA)	62,2
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	5
Schwere Atome	34
Formalladung	0
Komplexität	869
Arzneimittel	Pharmaceuticals

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)

GHS-Einstufung

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (100%)