Catalogue Number: TD673

Tolcapone 3-O-β-D-glucuronide

2-Hydroxy-5-(4-methylbenzoyl)-3-nitrophenyl β-D-glucopyranosiduronic acid

Size Price Availability Availability Quantity
1mg $135.00 ≥10 ship Sep 21, 2021
2mg $245.00 ≥10 ship Sep 21, 2021
5mg $530.00 9 ship Sep 21, 2021
10mg $950.00 4 ship Sep 21, 2021

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
Lot number format: ABC12345
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