8-Chlortheophyllin

8-Chlorotheophylline

HCID 10661CAS 85-18-7
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Grundinformationen

Standard-SMILES
Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChIKey
RYIGNEOBDRVTHA-UHFFFAOYSA-N
Summenformel
C7H7ClN4O2
Durchschnittliche Molmasse
214,61 g/mol
Monoisotopische Masse
214,0257532

Namen und Bezeichner

Bevorzugter Name
8-Chlorotheophylline
IUPAC
8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Lokaler Name
8-Chlortheophyllin
Englischer Name
8-Chlorotheophylline
Summenformel
C7H7ClN4O2
Molmasse
214.61

Namen und Synonyme

8-Chlorotheophylline85-18-71,3-Dimethyl-8-chloroxanthinechlortheophyllinechlorotheophylline8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dioneGE2UA340FMNSC-6113DTXSID5043764CHEBI:59771S8CT
Weitere Namen anzeigen
NSC 6113TheoclateAKOS BBS-000064358-Chlorothephyline8-Chlorotheophyline8-chloro-theophyllin
RefChem:107031sodium-8-chlorotheophyllineDTXCID3023764201-590-48-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione8-chloro-1,3-dimethyl-7H-purine-2,6-dioneTheophylline, 8-chloro-8-Chloro-theophylline

Datenbank-Bezeichner

CAS
85-18-7
PubChem CID
10661
DTXSID
DTXSID5043764
ChEMBL
CHEMBL88611
ChEBI
CHEBI:59771
UNII
GE2UA340FM
EC Number
201-590-4
Nikkaji
J4.911E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
69,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
290 °C · 290 °C (dec.)(lit.)
Siedepunkt
455 · 455.0±55.0 °C(Predicted)
Dichte
1.8869 · 1.8869 (rough estimate)
Brechungsindex
1.556 · 1.5560 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Soluble in sodium hydroxide.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 13-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10523
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 13-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10523

Sicherheitsdaten

wgk
3
ridadr
2811
hs_code
29395900
RTECS-Nr.
XH5063000
risk_code
20/21/22-36/37/38-22
hazard_code
Xn

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

8-chlorotheophylline produces a number of effects including nervousness, restlessness, insomnia, headache, and nausea, which are primarily attributed to its ability to block the adenosine receptor. Because adenosine causes a decrease in neuronal firing, blockade of the adenosine receptor causes the reverse effect resulting in excitation.

Anwendungen

Verwenden8-Chlorotheophylline is a stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.

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