Details of the Drug

General Information of Drug (ID: DM6BNQR)

Drug Name

NORBOLDINE

Synonyms

Laurolitsine; 5890-18-6; Laurolistine; Norboldine; UNII-5MT88IS14F; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; CHEMBL487388; 5MT88IS14F; CHEBI:66557; (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; (+)-Norboldine; 568-39-8; [(+)-norboldine]; AC1L2JVN; DTXSID30207641

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

313.3

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H19NO4
IUPAC Name: (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Canonical SMILES: COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
InChI: InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey: KYVJVURXKAZJRK-LBPRGKRZSA-N