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Product Overview

Product Code

TRC-A176002

CAS Number

461426-36-8

Product Format

Neat

Molecular Formula

C21H17D4N7O7

Molecular Weight

487.46

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

196080-95-2

Documentation

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Product Information

Chemical Data

Analyte Name

N-Acetyl Folic Acid-d4

CAS Number

461426-36-8

Molecular Formula

C21H17D4N7O7

Molecular Weight

487.46

Accurate Mass

487.1754

SMILES

[2H]c1c([2H])c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c([2H])c([2H])c1NCC2=CNC3=NC(=NC(=O)C3=N2)NC(=O)C

InChI

InChI=1S/C21H21N7O7/c1-10(29)24-21-27-17-16(19(33)28-21)25-13(9-23-17)8-22-12-4-2-11(3-5-12)18(32)26-14(20(34)35)6-7-15(30)31/h2-5,9,14,22H,6-8H2,1H3,(H,26,32)(H,30,31)(H,34,35)(H2,23,24,27,28,29,33)/t14-/m0/s1/i2D,3D,4D,5D

IUPAC

(2S)-2-[[4-[(2-acetamido-4-oxo-8H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid

Unlabelled CAS Number

196080-95-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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