Product Code

TRC-I258005

CAS Number

66516-92-5

Product Format

Neat

Molecular Formula

C27 H35 N O8

Molecular Weight

501.569

Product Categories

TRC, Drug Metabolism Reference Materials , Agonist & antagonist analogues, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

Analyte Name

Ifenprodil Glucuronide

CAS Number

66516-92-5

Molecular Formula

C27 H35 N O8

Molecular Weight

501.569

Accurate Mass

501.236

SMILES

CC(C(O)c1ccc(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)N3CCC(Cc4ccccc4)CC3

InChI

InChI=1S/C27H35NO8/c1-16(28-13-11-18(12-14-28)15-17-5-3-2-4-6-17)21(29)19-7-9-20(10-8-19)35-27-24(32)22(30)23(31)25(36-27)26(33)34/h2-10,16,18,21-25,27,29-32H,11-15H2,1H3,(H,33,34)/t16?,21?,22-,23-,24+,25-,27?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Ifenprodil Glucuronide

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