Product Code

TRC-C256552

Product Format

Neat

Molecular Formula

C41 D9 H43 N4 O4 S

Molecular Weight

705.996

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

497223-25-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Cenicriviroc-d9

Molecular Formula

C41 D9 H43 N4 O4 S

Molecular Weight

705.996

Accurate Mass

705.427

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOc1ccc(cc1)c2ccc3N(CC(C)C)CCC\C(=C/c3c2)\C(=O)Nc4ccc(cc4)[S@@+]([O-])Cc5cncn5CCC

InChI

InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1/i1D3,5D2,7D2,22D2

IUPAC

[4-[[(5E)-1-(2-methylpropyl)-8-[4-[2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethoxy]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carbonyl]amino]phenyl]-oxido-[(3-propylimidazol-4-yl)methyl]sulfanium

Unlabelled CAS Number

497223-25-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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