1-{3-Methyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide

https://huagongshe.com/de/chemical/3692682

Identifikatoren & physikalische Daten

CAS No.	476482-88-9
Summenformel	C18H22N8O3S
Durchschnittliche Molmasse	430,5 g/mol
Monoisotopische Masse	430,15355777 g/mol
SMILES	Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(C(N)=O)CC1)n2CCSc1ncccn1
InChIKey	VJGWDFDTUGOACK-UHFFFAOYSA-N
PubChem CID	3692682
EC No.	648-484-8

Chemische & physikalische Eigenschaften

XLogP	0
Polarare Oberfläche (TPSA)	165
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	6
Schwere Atome	30
Formalladung	0
Komplexität	668

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)