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Product Overview

Product Code

TRC-N457100

CAS Number

130656-51-8

Product Format

Neat

Molecular Formula

C19 H27 N5 O5 . Cl H

Molecular Weight

441.9091

API Family

Nifekalant

Product Categories

TRC, Bioactive small molecules, Impurity Reference Materials

Product Type

Impurity, API

Alternate CAS Number

Free base: 130636-43-0

Documentation

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Product Information

Chemical Data

Analyte Name

Nifekalant Hydrochloride

CAS Number

130656-51-8

Molecular Formula

C19 H27 N5 O5 . Cl H

Molecular Weight

441.9091

Accurate Mass

441.1779

SMILES

Cl.CN1C(=O)C=C(NCCN(CCO)CCCc2ccc(cc2)[N+](=O)[O-])N(C)C1=O

InChI

InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H

IUPAC

6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

Alternate CAS Number

Free base: 130636-43-0

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Nifekalant

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