Product Code

TRC-C724802

Product Format

Neat

Molecular Formula

C17 D8 H10 N6 S

Molecular Weight

346.479

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1039455-85-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

2,2,3,3,5,5,6,6-octadeuterio-N-(6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-ylideneamino)-4-methylpiperazine-1-carbothioamide

Molecular Formula

C17 D8 H10 N6 S

Molecular Weight

346.479

Accurate Mass

346.182

SMILES

[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(C(=S)NN=C2c3ncccc3c4cccnc24)C1([2H])[2H]

InChI

InChI=1S/C17H18N6S/c1-22-8-10-23(11-9-22)17(24)21-20-16-14-12(4-2-6-18-14)13-5-3-7-19-15(13)16/h2-7H,8-11H2,1H3,(H,21,24)/i8D2,9D2,10D2,11D2

IUPAC

2,2,3,3,5,5,6,6-octadeuterio-N-(6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-ylideneamino)-4-methylpiperazine-1-carbothioamide

Unlabelled CAS Number

1039455-85-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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COTI 219-d8

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