N-Desmethyl-4-hydroxy Tamoxifen Beta-D-Glucuronide (E/Z Mixture)
Product Code
TRC-D292042
CAS Number
Product Format
Neat
Molecular Formula
C31 H35 N O8
Molecular Weight
549.61
API Family
TamoxifenProduct Categories
Alternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N-Desmethyl-4-hydroxy Tamoxifen beta-D-Glucuronide (E,Z mixture)
CAS Number
152764-52-8
Molecular Formula
C31 H35 N O8
Molecular Weight
549.61
Accurate Mass
549.2363
SMILES
CCC(=C(c1ccc(OCCNC)cc1)c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)c4ccccc4
InChI
InChI=1S/C31H35NO8/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(14-10-20)38-18-17-32-2)21-11-15-23(16-12-21)39-31-28(35)26(33)27(34)29(40-31)30(36)37/h4-16,26-29,31-35H,3,17-18H2,1-2H3,(H,36,37)/t26-,27-,28+,29-,31+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-but-1-enyl]phenoxy]tetrahydropyran-2-carboxylic acid
Alternate CAS Number
(Z)-isomer: 956414-04-3; (E)-isomer: 152764-52-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API; Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
A novel active metabolite of the anti-cancer drug Tamoxifen (T006000).
References: Furr, B., et al.: Pharmacol. Ther., 25, 127