3,4-Di-O-benzyl DL-threo-Droxidopa-13C2,15N Hydrochloride

Analyte Name

3,4-Di-O-benzyl DL-threo-Droxidopa-13C2,15N Hydrochloride

CAS Number

1329488-61-0

Molecular Formula

C2113C2H24Cl15NO5

Molecular Weight

432.87

Accurate Mass

432.138

SMILES

Cl.[15NH2][13C@H]([C@H](O)c1ccc(OCc2ccccc2)c(OCc3ccccc3)c1)[13C](=O)O

InChI

InChI=1S/C23H23NO5.ClH/c24-21(23(26)27)22(25)18-11-12-19(28-14-16-7-3-1-4-8-16)20(13-18)29-15-17-9-5-2-6-10-17;/h1-13,21-22,25H,14-15,24H2,(H,26,27);1H/t21-,22-;/m1./s1/i21+1,23+1,24+1;

IUPAC

(2R,3R)-2-(^{15}N)azanyl-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy(1,2-^{13}C_{2})propanoic acid;hydrochloride

Alternate CAS Number

Free Base: 1329745-57-4

Unlabelled CAS Number

928643-40-8

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat