Record No. 1 of 3

ID1998
NameDehydrocorydalin
Pubchem ID160950
KEGG IDN/A
SourceCorydalis bulbuso
TypeNatural
FunctionAntiallergic
Drug Like PropertiesNo
Molecular Weight401.88
Exact mass401.139386
Molecular formulaC22H24ClNO4
XlogPN/A
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[Cl-]
Isomeric SMILEN/A
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Record No. 2 of 3

ID2951
NamePromethazine
Pubchem ID6014
KEGG IDD00480
SourceN/A
TypeUnknown
FunctionAntiallergic
Drug Like PropertiesNo
Molecular Weight320.88
Exact mass320.111397
Molecular formulaC17H21ClN2S
XlogPN/A
Topological Polar Surface Area6.5
H-Bond Donor1
H-Bond Acceptor2
Rotational Bond Count3
IUPAC NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine hydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl
Isomeric SMILEN/A
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Record No. 3 of 3

ID3451
NameTriprolidine
Pubchem ID5284472
KEGG IDD01782
SourceN/A
TypeUnknown
FunctionAntiallergic
Drug Like PropertiesNo
Molecular Weight332.87
Exact mass332.165541
Molecular formulaC19H25ClN2O
XlogPN/A
Topological Polar Surface Area17.1
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count4
IUPAC Name2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine hydratehydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl
Isomeric SMILECC1=CC=C(C=C1)/C(=CCN2CCCC2)/C3=CC=CC=N3.O.Cl
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