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Structure
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| Relationships |
Total Number of functionally related protein(s) :
625
Total Number of Articles : 1510
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| PubChem |
174174
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| Molecular Formula |
C17H23NO3 |
| SMILES |
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| 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? |
| synonyms |
- ATROPINE
- dl-Hyoscyamine
- Tropine tropate
- Atropin
- dl-Tropyltropate
- Eyesules
- Isopto-atropine
- Troyl tropate
- Atropina
- Atropin-flexiolen
- (+,-)-Tropyl tropate
- (+-)-hyoscyamine
- Tropine, tropate (ester)
- Tropic acid, ester with tropine
- CCRIS 3080
- Tropic acid, 3-alpha-tropanyl ester
- Atropinum
- HSDB 2199
- DL-Tropanyl 2-hydroxy-1-phenylpropionate
- 2-Phenylhydracrylic acid 3-alpha-tropanyl ester
- AI3-60219
- DL-Tropyl tropate
- 1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester)
- (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate
- 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate
- DTXSID4020113
- CHEBI:16684
- 7C0697DR9I
- 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate
- Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl ester, endo-(+-)-
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| Properties |
| Property |
Value |
| MW |
289.4 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
5 |
| Exact Mass |
289.16779360 g/mol |
| Monoisotopic Mass |
289.16779360 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
353 |
| xlogp |
1.8 |
| Topological Polar Surface Area |
49.8 |
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