Catalogue Number: RD642
Raloxifene 4',6-di-O-β-D-glucuronide
2-[4-(β-D-Glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 182507-20-6
- Molecular Formula
- C40H43NO16S
- Molecular Weight
- 825.83
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- Light 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)-6-(p-{6-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy]-3-[p-(2-piperidinoethoxy)benzoyl]-1-benzothiophen-2-yl}phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-13-12-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)18-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,50)(H,51,52)/t28-,29-,30-,31-,32+,33+,34-,35-,39+,40+/m0/s1
InChI Key
PCIAOPAUTIPRHI-SLTHDDBBSA-N
Smiles
C(=O)(O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC1=CC2=C(C(=C(S2)C2=CC=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C=C2)C(C2=CC=C(C=C2)OCCN2CCCCC2)=O)C=C1)O)O)O