Grundinformationen
- Standard-SMILES
[2H]C([2H])([2H])n1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21- InChIKey
MFWNKCLOYSRHCJ-JQHPXDLNNA-N- Summenformel
- C18H21D3N4O
- Durchschnittliche Molmasse
- 315,43 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Granisetron hydrochloride
- Englischer Name
- Granisetron hydrochloride
- Summenformel
- C18H21D3N4O
- Molmasse
- 315.43
Namen und Synonyme
Kytril-d3BRL-43694A-d3GRANISETRON-D3Granisetron-d3 (N-Methyl-D3 indazole)1-Methyl-N-[(3-endo)-9-(methyl-d3)-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
Datenbank-Bezeichner
- CAS
1224925-76-1
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 290 · 290-292°C
- Siedepunkt
- 532.016 · 532.016±40.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.33 · 1.330±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.341 · 12.341±0.20(predicted)
- Farbe
- White to Off-White
- InChI
- InChI=1/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-/i2D3
- InChIKey
- MFWNKCLOYSRHCJ-JQHPXDLNNA-N
- SMILES
- C1(C(=O)N[C@H]2C[C@@]3([H])CCC[C@@](N3C)([H])C2)C2C=CC=CC=2N(C([2H])([2H])[2H])N=1 |&1:4,6,11,r|
- CAS Datenbank
- 1224925 · 1224925-76-1
Chemie und Industrie
Anwendungen
BeschreibungGranisetron-d3 is intended for use as an internal standard for the quantification of granisetron by GC- or LC-MS. Granisetron is an antagonist of the serotonin (5-HT) receptor subtype 5-HT3 (Ki = 3.9 nM) with antiemetic activity.
VerwendenGRANISETRON-D3 is a specific serotonin (5HT3) receptor antagonist,it is Used as an antiemetic.
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