Catalogue Number: AD693
Abacavir O-β-D-glucuronide
[(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl]methyl β-D-glucopyranosiduronic acid
Categories
Properties
- CAS Number
- 384329-76-4
- Molecular Formula
- C20H26N6O7
- Molecular Weight
- 462.46
- Chemical Purity
- Min. 98% [HPLC-UVD]
- Appearance
- Off-White Solid
- Solubility
- DMSO, MeOH (weakly), H2O (weakly)
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,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C20H26N6O7/c21-20-24-16(23-9-2-3-9)11-17(25-20)26(7-22-11)10-4-1-8(5-10)6-32-19-14(29)12(27)13(28)15(33-19)18(30)31/h1,4,7-10,12-15,19,27-29H,2-3,5-6H2,(H,30,31)(H3,21,23,24,25)/t8-,10+,12+,13+,14-,15+,19-/m1/s1
InChI Key
WGTDUQBKKUUVMK-OLMRCODSSA-N
Smiles
NC1=NC(=C2N=CN(C2=N1)[C@H]1C=C[C@H](C1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)NC1CC1