Record No. 1 of 4

ID1256
NameAtropine
Pubchem ID656678
KEGG IDD02069
SourceAtropa belladonna
TypeNatural
FunctionAntimuscarinic
Drug Like PropertiesNo
Molecular Weight694.83
Exact mass694.313531
Molecular formulaC34H50N2O11S
XlogPN/A
Topological Polar Surface Area175
H-Bond Donor5
H-Bond Acceptor13
Rotational Bond Count10
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
Isomeric SMILECN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
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Record No. 2 of 4

ID2949
NamePromethazine
Pubchem ID6014
KEGG IDD00480
SourceN/A
TypeUnknown
FunctionAntimuscarinic
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 4

ID3210
NameScopolamine
Pubchem ID517999
KEGG IDN/A
SourceDATURA
TypeNatural
FunctionAntimuscarinic
Drug Like PropertiesNo
Molecular Weight384.26
Exact mass383.073221
Molecular formulaC17H22BrNO4
XlogPN/A
Topological Polar Surface Area62.3
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
Isomeric SMILEN/A
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Record No. 4 of 4

ID3211
NameScopolamine
Pubchem ID517999
KEGG IDN/A
SourceSCOPOLIA
TypeNatural
FunctionAntimuscarinic
Drug Like PropertiesNo
Molecular Weight384.26
Exact mass383.073221
Molecular formulaC17H22BrNO4
XlogPN/A
Topological Polar Surface Area62.3
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
Isomeric SMILEN/A
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