Product Code

TRC-B288522

Product Format

Neat

Molecular Formula

C18H16D5NNa2O5

Molecular Weight

382.38

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

63448-72-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

5R,6R-Benzylpenicilloate-d5 Disodium Salt

Molecular Formula

C18H16D5NNa2O5

Molecular Weight

382.38

Accurate Mass

382.15

SMILES

O=C(N[C@H](C(O[Na])=O)[C@]1([H])C[C@@H](C(O[Na])=O)C(C)(C)C1)CC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H]

InChI

InChI=1S/C18H23NO5.2Na/c1-18(2)10-12(9-13(18)16(21)22)15(17(23)24)19-14(20)8-11-6-4-3-5-7-11;;/h3-7,12-13,15H,8-10H2,1-2H3,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2/t12-,13+,15+;;/m1../s1/i3D,4D,5D,6D,7D;;

IUPAC

sodium (1R,4R)-4-((S)-carboxylato(2-(phenyl-d5)acetamido)methyl)-2,2-dimethylcyclopentane-1-carboxylate

Unlabelled CAS Number

63448-72-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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5R,6R-Benzylpenicilloate-d5 Disodium Salt

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