
CAS Number359875-09-5
SynonymsCerenia; UNII-LXN6S3999X; MFCD02098080; LXN6S3999X; Maropitant citrate [USAN]; (2S,3S)-2-benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine citrate monohydrate; Maropitant citrate; EINECS 201-069-1
Molecular FormulaC38H50O9N2
Molecular Weight678.82
Purity98%%
Boiling Point572.6ºC at 760 mmHg
Melting Point153-159ºC(lit.)
Appearancegrit
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 359875-09-5 |
| Catalog No. | 2A-4180225 |
| Chinese Name | 马罗匹坦枸橼酸一水合物 |
| Synonyms | Cerenia; UNII-LXN6S3999X; MFCD02098080; LXN6S3999X; Maropitant citrate [USAN]; (2S,3S)-2-benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine citrate monohydrate; Maropitant citrate; EINECS 201-069-1 |
| Molecular Formula | C38H50O9N2 |
| Molecular Weight | 678.82 |
| Purity | 98% |
| Boiling Point | 572.6ºC at 760 mmHg |
| Melting Point | 153-159ºC(lit.) |
| Appearance | grit |
| Water Solubility | H2O: 1 M at 20 °C, clear, colorless |
| Storage Condition | 2-8°C |
| PubChem ID | 10266078 |
| MDL Number | MFCD27976746 |
| SMILES | COc1ccc(C(C)(C)C)cc1CNC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1 |
| InChI Key | PGVSXRHFXJOMGW-YBZGWEFGSA-N |
| Transport Info | Product Name: Maropitan Citrate Hydrate |
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