Product Code

TRC-D230273

Product Format

Neat

Molecular Formula

C8H15NO2 • C20H18O8

Molecular Weight

543.56

Product Categories

TRC

Alternate CAS Number

1141362-94-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(S)-5,6-Dehydro Pregabalin (-)-O,O’-Di-p-toluoyl-L-tartaric Acid

Molecular Formula

C8H15NO2 • C20H18O8

Molecular Weight

543.56

Accurate Mass

543.21

SMILES

CC1=CC=C(C(O[C@@H](C(O)=O)[C@H](C(O)=O)OC(C2=CC=C(C)C=C2)=O)=O)C=C1.CC(C[C@H](CN)CC(O)=O)=C

InChI

InChI=1S/C20H18O8.C8H15NO2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-6(2)3-7(5-9)4-8(10)11/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);7H,1,3-5,9H2,2H3,(H,10,11)/t15-,16-;7-/m10/s1

IUPAC

(2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinic acid (S)-3-(aminomethyl)-5-methylhex-5-enoic acid

Alternate CAS Number

1141362-94-8

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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(S)-5,6-Dehydro Pregabalin (-)-O,O’-Di-p-toluoyl-L-tartaric Acid

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