Basic information
- 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- Molecular formula
- C18H21D3N4O
- Average molar mass
- 315.43 g/mol
Names & identifiers
- Preferred name
- Granisetron hydrochloride
- English name
- Granisetron hydrochloride
- Molecular formula
- C18H21D3N4O
- Molecular weight
- 315.43
Names & synonyms
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
Database identifiers
- CAS
1224925-76-1
Properties
Physicochemical properties
- Melting point
- 290 · 290-292°C
- Boiling point
- 532.016 · 532.016±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.33 · 1.330±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.341 · 12.341±0.20(predicted)
- color
- 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 DataBase Reference
- 1224925 · 1224925-76-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Applications
DescriptionGranisetron-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.
UsesGranisetron-d3 is the labeled analogue of Granisetron (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.
UsesGRANISETRON-D3 is a specific serotonin (5HT3) receptor antagonist,it is Used as an antiemetic.
Suppliers21 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
SIMSON PHARMA LIMITED+91-8291074273 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
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