3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3R,4aS,6S,8aS)-rel-

Base Information

• Chemical Name: 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3R,4aS,6S,8aS)-rel-
• CAS No.: 150010-68-7
• Molecular Formula: C13H21 N5 O2
• DSSTox Substance ID: DTXSID50933854
• Nikkaji Number: J619.680B
• Wikidata: Q82909681
• ChEMBL ID: CHEMBL70937

Synonyms:(3S,4aR,6R,8aR)-6-(2-(1(2)H-tetrazole-5yl)ethyl)decahydroisoquinoline-3carboxylic acid;6-(2-(1H-tetrazol-5-yl)ethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid;LY 215490;LY 293558;LY 326325;LY-215490;LY-293558;LY-326325;LY293558;NGX424;tezampanel

Chemical Property of 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3R,4aS,6S,8aS)-rel-

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 279.16952493
• Heavy Atom Count: 20
• Complexity: 354

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)O
• Isomeric SMILES: C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CCC3=NNN=N3)C(=O)O

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