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131020-57-0 | 1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-, hydrochloride (1:1)
CAS No: 131020-57-0 Catalog No: AG000VCA MDL No:MFCD13182366
Product Description
Catalog Number:
AG000VCA
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-, hydrochloride (1:1)
CAS Number:
131020-57-0
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
MDL Number:
MFCD13182366
IUPAC Name:
4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H10N2O2.ClH/c11-8(12)5-1-2-6-7(3-5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H
InChI Key:
HCLOFQMHYZETCL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)[nH]cn2.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.638g/mol
Monoisotopic Mass:
202.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors. | European journal of medicinal chemistry 20110501 |
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