Product Code

TRC-P580517

Product Format

Neat

Molecular Formula

C40 D4 H44 F18 N8 O6

Molecular Weight

1082.855

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

406939-93-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Plerixafor-(phenylene-d4) 4,4’,8,8’,11,11’-Hexatrifluoroacetate

Molecular Formula

C40 D4 H44 F18 N8 O6

Molecular Weight

1082.855

Accurate Mass

1082.366

SMILES

[2H]c1c([2H])c(CN2CCCN(CCN(CCCN(CC2)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)c([2H])c([2H])c1CN3CCCN(CCN(CCCN(CC3)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F

InChI

InChI=1S/C40H48F18N8O6/c41-35(42,43)29(67)61-13-3-15-65(33(71)39(53,54)55)23-21-63(31(69)37(47,48)49)11-1-9-59(17-19-61)25-27-5-7-28(8-6-27)26-60-10-2-12-64(32(70)38(50,51)52)22-24-66(34(72)40(56,57)58)16-4-14-62(20-18-60)30(68)36(44,45)46/h5-8H,1-4,9-26H2/i5D,6D,7D,8D

IUPAC

2,2,2-trifluoro-1-[11-[[2,3,5,6-tetradeuterio-4-[[4,8,11-tris(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]methyl]-4,8-bis(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone

Unlabelled CAS Number

406939-93-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Protected, labelled Plerixafor.

References: Jacobson, O., et al.: Bioorg. Med. Chem., 17, 1486 (2009),

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Plerixafor-(phenylene-d4) 4,4’,8,8’,11,11’-Hexatrifluoroacetate

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