Analyte Name

(R)-Ketamine-d6 L-Tartaric Acid

Molecular Formula

C34 H52 N9 O16 P

Molecular Weight

873.801

Accurate Mass

873.327

SMILES

C[C@H](NC(=O)[C@H](COP(=O)(C)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C34H52N9O16P/c1-17(28(49)36-13-25(45)38-18(2)29(50)39-19(3)30(51)42-23(15-44)34(55)56)40-33(54)24(16-59-60(4,57)58)43-32(53)22(10-11-27(47)48)41-26(46)14-37-31(52)21(35)12-20-8-6-5-7-9-20/h5-9,17-19,21-24,44H,10-16,35H2,1-4H3,(H,36,49)(H,37,52)(H,38,45)(H,39,50)(H,40,54)(H,41,46)(H,42,51)(H,43,53)(H,47,48)(H,55,56)(H,57,58)/t17-,18-,19-,21-,22?,23-,24-/m0/s1

IUPAC

4-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-[hydroxy(methyl)phosphoryl]oxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Unlabelled CAS Number

33643-48-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat