1241684-29-6
| Name | Estrone-[2,3,4-13C3] |
| CAS | 1241684-29-6 |
| Molecular Formula | C18H22O2 |
| MDL Number | MFCD15144880 |
| Molecular Weight | 273.393 |
| MOL File | 1241684-29-6.mol |
Chemical Properties
| Melting point | 258-260°C (lit.) |
| Fp | 9℃ |
| storage temp. | -20°C |
| form | solution |
| Major Application | clinical testing |
| InChI | 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1 |
| InChIKey | DNXHEGUUPJUMQT-JTCDCFKFSA-N |
| SMILES | O[13c]1[13cH]c2c(c[13cH]1)[C@@H]3[C@H]([C@H]4[C@](CC3)(C(=O)CC4)C)CC2 |
| CAS Number Unlabeled | 53-16-7 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |