(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indole
Grundinformationen
- Standard-SMILES
CN1CCCC1Cc1c[nH]c2ccc(C=CS(=O)(=O)c3ccccc3)cc12- InChIKey
MJICWWOZPCLNBP-UHFFFAOYSA-N- Summenformel
- C22H24N2O2S
- Durchschnittliche Molmasse
- 380,5 g/mol
- Monoisotopische Masse
- 380,15584919
Namen und Bezeichner
- Bevorzugter Name
- (R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indole
- IUPAC
- 5-[2-(benzenesulfonyl)ethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
Namen und Synonyme
180637-89-2(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indoleSCHEMBL505790(R)-5-(2-benzenesulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indoleR-5-(2-Benzenesulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indoleNS00008121
Datenbank-Bezeichner
- PubChem CID
- 53400889
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 61,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 621
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
Gefahrenhinweise
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3605
Status: Active Update: 19-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20535
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT RE 2 (100%)
Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT RE 2 (100%)
Acute toxicity - category 4；Specific target organ toxicity (repeated exposure) - category 2；Eye damage - category 1；Skin sensitisation - category 1
Acute Tox. 4 *；STOT RE 2 *；Eye Dam. 1；Skin Sens. 1
Regulatorische Informationen
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3605
Status: Active Update: 19-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20535
Zugehörige Reaktionen
4
Notizen zur Verbindung
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