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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
(R)-P7C3-Ome is an analogue of P7C3 and P3C3-A20. (R)-P7C3-Ome has therapeutic benefits in neuropsychiatric and/or neurodegenerative disease and is far more active than the S-enantiomer.
| Canonical Smiles | COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O |
|---|---|
| IUPAC Name | (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol |
| InChIKey | LEICNUMXFWNCSJ-QGZVFWFLSA-N |
| INCHI | 1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m1/s1 |
| Isomeric SMILES | COC1=CC=CC(=C1)NC[C@H](CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O |
| PubChem CID | 1100216 |
| Molecular Weight | 504.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Brominated biphenyls |
| Direct Parent | Polybrominated biphenyls |
| Alternative Parents | Carbazoles N-alkylindoles Aminophenyl ethers Indoles Methoxyanilines Anisoles Phenylalkylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Secondary alkylarylamines Aryl bromides Substituted pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organobromides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Polybrominated biphenyl - Carbazole - N-alkylindole - Indole or derivatives - Indole - Aminophenyl ether - Methoxyaniline - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Anisole - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Substituted pyrrole - Aryl bromide - Aryl halide - Pyrrole - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom. |
| External Descriptors | Not available |
| Molecular Weight | 504.200 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 503.987 Da |
| Monoisotopic Mass | 501.989 Da |
| Topological Polar Surface Area | 46.400 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 485.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |