Catalogue Number: TD673
Tolcapone 3-O-β-D-glucuronide
2-Hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 204853-33-8
- Molecular Formula
- C20H19NO11
- Molecular Weight
- 449.37
- Chemical Purity
- Min. 95% [1H-NMR]
- Appearance
- Yellow Solid
- Solubility
- DMSO, MeOH
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid
InChI
InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1
InChI Key
QQQCXCUCFPMHBX-HBWRTXEVSA-N
Smiles
O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC1=C(C(=CC(=C1)C(C1=CC=C(C=C1)C)=O)[N+](=O)[O-])O)C(=O)O