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Product Overview

Product Code

TRC-P205823

CAS Number

16816-67-4

Product Format

Neat

Molecular Formula

C22 H42 N4 O8 S2

Molecular Weight

554.72

Product Categories

TRC, Forensic and Toxicology Reference Materials, Food additives, flavours and adulterants

Product Type

Additive

Drug Type

Other Drugs & Biomarkers

Documentation

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Product Information

Chemical Data

Analyte Name

D-Pantethine

CAS Number

16816-67-4

Molecular Formula

C22 H42 N4 O8 S2

Molecular Weight

554.72

Accurate Mass

554.2444

SMILES

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

InChI

InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1

IUPAC

(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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