2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate

CAS:
153657-83-1
94120-05-5

Ref. TR-D479560

Isoquinoline

Product Information

Name:2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate

Controlled Product

Synonyms:

Terbutaline Sulfate Impurity B Hemisulfate Hydrate

Brand:TRC

Description:

Stability Hygroscopic
Applications 2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-Isoquinolinetriol Hemisulfate Hydrate is a salt form of 2-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-4,6,8-isoquinolinetriol (CAS 94120-05-5) which is used in analytical study of identification of degradation products and process impurities from terbutaline sulfate by UHPLC-Q-TOF-MS/MS and In silico toxicity prediction.
References Zhou, N., et al.: Chromatographia, 80, 793 (2017)

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Chemical properties

Molecular weight:2237.3098071802

Formula:(C₁₃H₁₉NO₃)•H₂SO₄•x(H₂O)

Color/Form:Neat

InChI:InChI=1S/C13H19NO3.H2O4S/c1-13(2,3)14-6-10-9(12(17)7-14)4-8(15)5-11(10)16;1-5(2,3)4/h4-5,12,15-17H,6-7H2,1-3H3;(H2,1,2,3,4)

InChI key:InChIKey=OKHZGSNYOXJTMA-UHFFFAOYSA-N

SMILES:CC(C)(C)N1Cc2c(O)cc(O)cc2C(O)C1.O=S(=O)(O)O

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