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CAS Number: 128502-56-7
(S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Structure

(S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Name: (S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 128502567
CAS Registry Number: 128502-56-7
Name:
3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​7-​hydroxy-​, (3S)​-
3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​7-​hydroxy-​, (S)​-; (3S)​-​7-​Hydroxy-​1,​2,​3,​4-​tetrahydro-​3-​isoquinolinecarboxyl​ic acid; (S)​-​7-​Hydroxy-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylic acid; 7-​Hydroxy-​(3S)​-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylic acid; L-​1,​2,​3,​4-​Tetrahydro-​7-​hydroxyisoquinoline-​3-​carboxylic; L-​1,​2,​3,​4-​Tetrahydro-​7-​hydroxyisoquinoline-​3-​carboxylic acid; L-​7-​Hydroxy-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylic acid 
 
Chemical Formula: C10H11NO3
Exact Mass: 193.07
Molecular Weight: 193.20
m/z: 193.07 (100.0%), 194.08 (11.1%), 195.08 (1.2%)
Elemental Analysis: C, 62.17; H, 5.74; N, 7.25; O, 24.84
 
InChI: InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKey: HIKCRLDSCSWXML-VIFPVBQESA-N
Canonical SMILES : C1C(NCC2=C1C=CC(=C2)O)C(=O)O
Isomeric SMILES: C1[C@H](NCC2=C1C=CC(=C2)O)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 253-255 °C   (1)CAS

Specification

98%

References
  1. (1) Zhang, Yingjie; Bioorganic & Medicinal Chemistry 2010, V18(5), P1761-1772 CAPLUS
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