RAS
(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine
Created: | 2004-01-15 |
Last modified: | 2021-03-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 1 |
Bond Count | 29 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine |
Synonyms | RASAGILINE, BOUND FORM |
Systematic Name (OpenEye OEToolkits) | (1R)-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine |
Formula | C12 H15 N |
Molecular Weight | 173.254 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc2c1CCC2NC/C=C |
SMILES | CACTVS | 3.370 | C=CCN[CH]1CCc2ccccc12 |
SMILES | OpenEye OEToolkits | 1.7.6 | C=CCNC1CCc2c1cccc2 |
Canonical SMILES | CACTVS | 3.370 | C=CCN[C@@H]1CCc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C=CCN[C@@H]1CCc2c1cccc2 |
InChI | InChI | 1.03 | InChI=1S/C12H15N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-6,12-13H,1,7-9H2/t12-/m1/s1 |
InChIKey | InChI | 1.03 | RPAZWTZFMPXUKS-GFCCVEGCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5326779 |