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Product Overview

Product Code

TRC-M563540

CAS Number

958450-23-2

Product Format

Neat

Molecular Formula

C22 H24 Br N2 O3 S

Molecular Weight

476.407

Product Type

Impurity

Documentation

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Product Information

Analyte Name

3-Methyloxazinane Arbidol

CAS Number

958450-23-2

Molecular Formula

C22 H24 Br N2 O3 S

Molecular Weight

476.407

Accurate Mass

475.069

SMILES

BrC1=CC2=C(C3=C1OCN(C3)C)C(C(OCC)=O)=C(CSC4=CC=CC=C4)N2C

InChI

InChI=1S/C22H24BrN2O3S/c1-4-27-22(26)20-18(12-29-14-8-6-5-7-9-14)25(3)17-10-16(23)21-15(19(17)20)11-24(2)13-28-21/h5-10,20H,4,11-13H2,1-3H3

IUPAC

ethyl 5-bromo-2,7-dimethyl-8-(phenylsulfanylmethyl)-3,9-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

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