PRODUCT Properties
| Melting point: | 193-197 °C |
| alpha | D25 +130.5° (CHCl3) |
| Boiling point: | 497.92°C (rough estimate) |
| Density | 1.3694 (rough estimate) |
| refractive index | 1.5600 (estimate) |
| storage temp. | 2-8°C |
| solubility | Benzene, Chloroform, DMSO, Ethyl Acetate |
| pka | 4.84(at 25℃) |
| form | Off-white to yellow powder. |
| color | Pale Yellow |
| optical activity | [α]20/D +126±6°, c = 1% in chloroform |
| λmax | 325nm(lit.) |
| Merck | 14,1203 |
| BRN | 98786 |
| InChI | 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1 |
| InChIKey | IYGYMKDQCDOMRE-ZWKOTPCHSA-N |
| SMILES | [H][C@]1(OC(=O)c2c3OCOc3ccc12)[C@@]4([H])N(C)CCc5cc6OCOc6cc45 |
| CAS DataBase Reference | 485-49-4(CAS DataBase Reference) |
| EPA Substance Registry System | Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)- (485-49-4) |
Description and Uses
GABAa antagonist
Safety
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H300+H310+H330-H400 |
| Precautionary statements | P260-P262-P273-P280-P302+P352+P310-P304+P340+P310 |
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard Codes | T,N,Xn |
| Risk Statements | 23/24/25-50-36/37/38-20/21/22 |
| Safety Statements | 36/37-45-61-36-26 |
| RIDADR | UN 1544 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | LV0909840 |
| F | 10-23 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29399990 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral Aquatic Acute 1 |
| Toxicity | LD50 ipr-mus: 8480 mg/kg CUTOEX 1,199,93 |
