
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 116476-13-2 |
| Catalog No. | 2A-9012416 |
| Chinese Name | 司莫地尔 |
| Synonyms | UNII-DGN08QZ30G; Semotiadilum [INN-Latin]; Semotiadil; Semotiadil [INN]; Semotiadilum; LEVOSEMOTIADIL FUMARATE |
| Molecular Formula | C29H32N2O6S |
| Molecular Weight | 536.65 |
| Purity | 98 |
| Density | 1.263g/cm3 |
| Boiling Point | 727.3ºC at 760mmHg |
| MDL Number | C29H32N2O6S |
| SMILES | COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c(C2Sc3ccccc3N(C)C2=O)c1 |
| InChI | InChI=1S/C29H32N2O6S/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3/t28-/m1/s1 |
| InChI Key | RKXVEXUAWGRFNP-MUUNZHRXSA-N |
| MSDS | msds/12416_1_116476_13_2.pdf |
| Transport Info | Product name: Compound T28759 |
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