1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methyl-1-isoquinolinecarboxylic acid
Basic information
- CAS
57256-34-5- Standard SMILES
CC1(C(=O)O)NCCc2cc(O)c(O)cc21- InChIKey
XHGLVMDBZZZXDP-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methyl-1-isoquinolinecarboxylic acid
- IUPAC
- 6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
- English name
- 1-carboxysalsolinol
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
Salsolinol-1-carboxylic acid57256-34-51-CarboxysalsolinolSal-1-CADTXSID4011509151-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methyl-1-isoquinolinecarboxylic acidRefChem:906623DTXCID4015824656,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acidXHGLVMDBZZZXDP-UHFFFAOYSA-N
Show more names
6,7-Dihydroxy-1-Methyl-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dihydroxy-1-methyl-
CHEMBL502044orb1704101SCHEMBL12648654HMS3266D19HMS3411K22HMS3675K22HY-N2321NSC358258
Database identifiers
- CAS
57256-34-5
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- storage temp.
- Store at RT
- form
- Powder
- color
- Off-white to light yellow
- Water Solubility
- 25 mM · Soluble to 25 mM in water
Chemistry & industry
Applications
UsesSalsolinol-1-carboxylic acid is an novel amino acid alkaloid endogenous to the CNS.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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