6-Acetylmorphine 3-O-beta-D-glucuronide
Product Code
TRC-A186905-1MG
CAS Number
Product Format
Neat
Molecular Formula
C25 H29 N O10
Molecular Weight
503.50
Product Categories
Product Type
MetaboliteDrug Type
Opiates
Documentation
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Product Information
Chemical Data
Analyte Name
6-Acetylmorphine 3-O-beta-D-Glucuronide
CAS Number
62299-26-7
Molecular Formula
C25 H29 N O10
Molecular Weight
503.50
Accurate Mass
503.1791
SMILES
CN1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35
InChI
InChI=1S/C25H29NO10/c1-10(27)33-15-6-4-12-13-9-11-3-5-14(20-16(11)25(12,22(15)35-20)7-8-26(13)2)34-24-19(30)17(28)18(29)21(36-24)23(31)32/h3-6,12-13,15,17-19,21-22,24,28-30H,7-9H2,1-2H3,(H,31,32)/t12-,13+,15-,17-,18-,19+,21-,22-,24+,25-/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-acetoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
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