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Salsolinol hydrobromide

CAT: 0926-FS65847-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FS65847-02Size:100 mg
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CAS Number
38221-21-5
Synonyms
Norsalsolin hydrobromide; (S) -1,2,3,4-Tetrahydro-1-methyl-6,7-Isoquinolinediol hydrobromide; L-Salsolinol hydrobromide
MDL Number
MFCD00238677
Smiles
C[C@H]1C2=CC (=C (C=C2CCN1) O) O.Br
Molecular Formula
C10H14BrNO2
Molecular Weight
260.13 g/mol
Controlled
No

Chemical Information

6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, hydrobromide (1:1), (1S)-
CAS Number38221-21-5
PubChem CID6419979
IUPAC Name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular FormulaC10H14BrNO2
Molecular Weight260.13
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
C[C@H]1C2=CC(=C(C=C2CCN1)O)O.Br
InChI
InChI=1S/C10H13NO2.BrH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H/t6-;/m0./s1
InChIKey
OGMGXKJQIOUTTB-RGMNGODLSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, hydrobromide (1:1), (1S)-
CAS: 38221-21-5
CID: 6419979
Formula: C10H14BrNO2
MW: 260.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight260.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass259.02079
Monoisotopic Mass259.02079
Topological Polar Surface Area52.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes