1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one

HCID 11790505

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Grundinformationen

CAS: 99614-64-9
Standard-SMILES: C=C1CCc2c(c3ccccc3n2C)C1=O
InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N
Summenformel: C14H13NO
Durchschnittliche Molmasse: 211,26 g/mol
Monoisotopische Masse: 211,09971404

Namen und Bezeichner

Bevorzugter Name: 1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one
IUPAC: 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
Englischer Name: 1,2,3,9-Tetrahydro-9-methtyl-3-methylene-4H-carbazol-4-one
Summenformel: C14H13NO
Molmasse: 211.26

Namen und Synonyme

99614-64-91,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one9-Methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-oneUNII-098F00IT8F4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-methylene-098F00IT8FDTXSID80244167Ondansetron hydrochloride dihydrate specified impurity D [EP]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY D [EP IMPURITY]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY D (EP IMPURITY)RefChem:71381DTXCID80166658

Weitere Namen anzeigen

ONDANSETRON EP IMP DOndansetron impurity D (PhEur)Ondanserton Related Compound-DOndansetron USP Related Compound DOndansetron Related Compound D (USP)Ondansetron EP Impurity D (USP RC D)Ondansetron HCl EP IMpurity-D (USP RC D)3,9-dimethyl-2,3-dihydro-1H-carbazol-4-one

Ondansetron hydrochloride dihydrate specified impurity D9-Methyl-3-methylene-2,3-dihydro-1H-carbazol-4(9H)-oneOndansetron EP Impurity D9-methyl-3-methylidene-1,2-dihydrocarbazol-4-oneMFCD08063682Ondansetron Impurity DOndansetron impurity D CRSSCHEMBL3549753

Datenbank-Bezeichner

CAS: 99614-64-9
PubChem CID: 11790505
DTXSID: DTXSID80244167
UNII: 098F00IT8F
EC Number: 641-930-2
Nikkaji: J885.805E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 22 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 336

Physikochemische Eigenschaften

Siedepunkt: 394 ℃ · 394℃
Dichte: 1.18 · 1.18
Flammpunkt: 192 ℃ · 192℃
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: solid
BRN: 7920329 · 7920329
Major Application: pharmaceutical (small molecule)
InChI: 1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N
SMILES: Cn1c2CCC(=C)C(=O)c2c3ccccc13

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-43
hazard_code: T
safety_code: 36/37-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1