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Product Code

TRC-T369524

CAS Number

1398044-41-1

Product Format

Neat

Molecular Formula

C21H18D5NO5S

Molecular Weight

406.51

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

1329611-20-2

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48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

Thiorphan Methoxyacetophenone-d5 Derivative

CAS Number

1398044-41-1

Molecular Formula

C21H18D5NO5S

Molecular Weight

406.51

Accurate Mass

406.16

SMILES

O=C(C(CC1=C(C([2H])=C(C([2H])=C1[2H])[2H])[2H])CSCC(C2=CC=CC(OC)=C2)=O)NCC(O)=O

InChI

InChI=1S/C21H23NO5S/c1-27-18-9-5-8-16(11-18)19(23)14-28-13-17(21(26)22-12-20(24)25)10-15-6-3-2-4-7-15/h2-9,11,17H,10,12-14H2,1H3,(H,22,26)(H,24,25)/i2D,3D,4D,6D,7D

IUPAC

(3-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-2-((phenyl-d5)methyl)propanoyl)glycine

Unlabelled CAS Number

1329611-20-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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