![Benzeneacetic acid, α-[[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]amino]-, (αR)- structure, CAS 439086-76-7](/structures/210000/188659_2_439086_76_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 439086-76-7 |
| Catalog No. | 2A-1187316 |
| Chinese Name | Des-Glycinyl Elobixibat |
| Molecular Formula | C34H42N2O6S2 |
| Molecular Weight | 638.8 |
| Purity | 98.00 |
| PubChem ID | 30371248 |
| SMILES | CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)O)c3ccccc3)cc2S(=O)(=O)C1 |
| InChI | InChI=1S/C34H42N2O6S2/c1-4-6-18-34(19-7-5-2)23-36(26-16-12-9-13-17-26)27-20-29(43-3)28(21-30(27)44(40,41)24-34)42-22-31(37)35-32(33(38)39)25-14-10-8-11-15-25/h8-17,20-21,32H,4-7,18-19,22-24H2,1-3H3,(H,35,37)(H,38,39)/t32-/m1/s1 |
| InChI Key | FHPGPFMCENWARO-JGCGQSQUSA-N |
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