1-[Bis(hydroxymethyl)-methyl]-6,7-dihydroxy-3,4-dihydroisoquinoline hydrobromide

HCID 135802429
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Basic information

Standard SMILES
Br.OCC(CO)C1=NCCc2cc(O)c(O)cc21
InChIKey
DCHTVVOZNGBLBW-UHFFFAOYSA-N
Molecular formula
C12H16BrNO4
Average molar mass
318.16 g/mol

Names & identifiers

Preferred name
1-[Bis(hydroxymethyl)-methyl]-6,7-dihydroxy-3,4-dihydroisoquinoline hydrobromide
IUPAC
1-(1,3-dihydroxypropan-2-yl)-3,4-dihydroisoquinoline-6,7-diol;hydrobromide

Names & synonyms

SCHEMBL10707282DCHTVVOZNGBLBW-UHFFFAOYSA-N1-[bis(hydroxymethyl)-methyl]-6,7-dihydroxy-3,4-dihydroisoquinoline hydrobromide

Database identifiers

PubChem CID
135802429

Properties

Computed structural properties

Topological polar surface area
93.3 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
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Compound notes

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