Catalogue Number: TD972
Tapentadol O-β-D-glucuronide
3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]phenyl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 1300037-86-8
- Molecular Formula
- C20H31NO7
- Molecular Weight
- 397.46
- Chemical Purity
- Min. 94% [HPLC-UVD]
- Appearance
- Off-White Amorphous 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
- Signal Word
- Warning
- Pictogram
-
- GHS Classification
- Acute Toxicity, Oral (Category 4)
- Hazard Statements
- H302: Harmful if swallowed
- Precautionary Statements
-
P264: Wash skin thoroughly after handling.
P301 + P312 + P330: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6S)-6-[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20+/m0/s1
InChI Key
CTYJDHSTNLOUMT-PJOQTPGLSA-N
Smiles
CN(C[C@@H]([C@@H](CC)C=1C=C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=CC1)C)C