![Imidazo[4,5-h][1,4]benzothiazine-2-butanoic acid, 6-(2-chloroethyl)-3,6,7,8-tetrahydro-3-methyl- structure, CAS 191939-34-1](/structures/180000/167264_2_191939_34_1.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 191939-34-1 |
| Catalog No. | 2A-1167245 |
| Chinese Name | 苯达莫司汀杂质D |
| Synonyms | 4-[6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid |
| Molecular Formula | C16H20ClN3O2S |
| Molecular Weight | 353.867 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 611.0±55.0 °C at 760 mmHg |
| PubChem ID | 591410 |
| SMILES | Cn1c(CCCC(=O)O)nc2c3c(ccc21)N(CCCl)CCS3 |
| InChI | InChI=1S/C16H20ClN3O2S/c1-19-11-5-6-12-16(23-10-9-20(12)8-7-17)15(11)18-13(19)3-2-4-14(21)22/h5-6H,2-4,7-10H2,1H3,(H,21,22) |
| InChI Key | JOUZJTKKJDXTBE-UHFFFAOYSA-N |
| Transport Info | Product Name: Bendamustine Impurity A |
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