Solabegron Acyl Glucuronide-13C6
Product Code
TRC-S675646-5MG
Product Format
Neat
Molecular Formula
13C6 C23 H31 Cl N2 O9
Molecular Weight
592.973
Product Categories
Product Type
Stable Isotope LabelledPrice and availability
Product Information
Product Data
Analyte Name
Solabegron Acyl Glucuronide-13C6
Molecular Formula
13C6 C23 H31 Cl N2 O9
Molecular Weight
592.973
Accurate Mass
592.192
SMILES
O[C@@H](CNCCNc1cccc(c1)c2cccc(c2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)[13c]4[13cH][13cH][13cH][13c](Cl)[13cH]4
InChI
InChI=1S/C29H31ClN2O9/c30-20-8-2-6-18(13-20)22(33)15-31-10-11-32-21-9-3-5-17(14-21)16-4-1-7-19(12-16)28(39)41-29-25(36)23(34)24(35)26(40-29)27(37)38/h1-9,12-14,22-26,29,31-36H,10-11,15H2,(H,37,38)/t22-,23-,24-,25+,26-,29-/m0/s1/i2+1,6+1,8+1,13+1,18+1,20+1
IUPAC
(2S,3S,4S,5R,6S)-6-[3-[3-[2-[[(2R)-2-(3-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SIL Type
Carbon
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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