General Information of the Compound
| Compound ID |
CP0047913
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| Compound Name |
ENDO-ATROPINE
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| Synonyms |
(-)-Atropine
(-)-Hyoscyamine
(1R,5S)-8-METHYL-8-AZABICYCLO[321]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
(2S)-(1R,5S)-8-Methyl-8-azabicyclo[321]octan-3-yl 3-hydroxy-2-phenylpropanoate
(S)-(-)-Hyoscyamine
(S)-Atropine
101-31-5
CHEBI:17486
Daturine
Duboisine
Hyocyamine
Hyoscyamine
Hyoscyamine (L)
Hyoscyamine, l-
L-Hyoscyamine
L-Tropine tropate
Levbid
Levsinex SR
PX44XO846X
Tropine, (-)-tropate
UNII-PX44XO846X
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester
hyoscyamine
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| Structure |
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| Formula |
C17H23NO3
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| Molecular Weight |
289.375
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
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| InChIKey |
RKUNBYITZUJHSG-VFSICIBPSA-N
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| CAS |
101-31-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT03292, Muscarinic acetylcholine receptor M5
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound