Product Code
TRC-H942735-50MG
CAS Number
Product Format
Neat
Molecular Formula
C15H17Cl2N3O8
Molecular Weight
438.22
Product Categories
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Analyte Name
3-Hydroxy Guanfacine O-beta-D-Glucuronide
CAS Number
78433-83-7
Molecular Formula
C15H17Cl2N3O8
Molecular Weight
438.22
Accurate Mass
437.04
SMILES
O[C@@H]1[C@@H](C(O)=O)O[C@@H](OC2=C(Cl)C(CC(NC(N)=N)=O)=C(Cl)C=C2)[C@H](O)[C@H]1O
InChI
InChI=1S/C15H17Cl2N3O8/c16-5-1-2-6(8(17)4(5)3-7(21)20-15(18)19)27-14-11(24)9(22)10(23)12(28-14)13(25)26/h1-2,9-12,14,22-24H,3H2,(H,25,26)(H4,18,19,20,21)/t9-,10-,11+,12?,14+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-6-(2,4-dichloro-3-(2-guanidino-2-oxoethyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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