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Structure
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| Relationships |
Total Number of functionally related protein(s) :
370
Total Number of Articles : 599
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| PubChem |
3000322
|
| Molecular Formula |
C17H21NO4 |
| SMILES |
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1 |
| synonyms |
- scopolamine
- (-)-Hyoscine
- Scopine (-)-tropate
- Scopine tropate
- Hyosol
- Transderm-Scop
- Atrochin
- Atroquin
- Skopolamin
- Scopace
- l-Scopolamine
- Boro-Scopol
- Epoxytropine tropate
- Scopoderm
- levo-duboisine
- 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate
- Hyosceine
- hydrobromicum, Scopolaminum
- UNII-DL48G20X8X
- DL48G20X8X
- alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester
- Tropic acid, ester with scopine
- CHEBI:16794
- HSDB 4074
- EINECS 200-090-3
- (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
- DTXSID6023573
- EC 200-090-3
- 6beta,7beta-Epoxy-1alpha,5alpha-tropan-3alpha-ol
- 6beta,7beta-Epoxy-3alpha-tropanyl S-(-)-tropate
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| Properties |
| Property |
Value |
| MW |
303.35 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
5 |
| Exact Mass |
303.14705815 g/mol |
| Monoisotopic Mass |
303.14705815 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
5 |
| Covalent Unit Count |
1 |
| Complexity |
418 |
| xlogp |
0.9 |
| Topological Polar Surface Area |
62.3 |
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