Catalogue Number: ED838
Ertugliflozin 2-O-β-D-glucuronide
1,6-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-O-β-D-glucopyranuronosyl-5-C-(hydroxymethyl)-β-L-idopyranose
Categories
Properties
- CAS Number
- 1500090-84-5
- Molecular Formula
- C28H33ClO13
- Molecular Weight
- 613.01
- Chemical Purity
- Min. 94% [HPLC-UVD]
- Appearance
- White 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,6R)-6-[[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid,
InChI
InChI=1S/C28H33ClO13/c1-2-38-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)29)28-24(21(34)23(35)27(11-30,42-28)12-39-28)41-26-20(33)18(31)19(32)22(40-26)25(36)37/h3-8,10,18-24,26,30-35H,2,9,11-12H2,1H3,(H,36,37)/t18-,19-,20+,21-,22-,23-,24+,26-,27-,28-/m0/s1
InChI Key
KFRDLOWUHLQEAX-GCGVPRHFSA-N
Smiles
ClC1=C(C=C(C=C1)[C@]12[C@@H]([C@H]([C@@H]([C@](CO1)(O2)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CC2=CC=C(C=C2)OCC