| CAS Number | 85239-46-9 |
| Catalog Number | AG019EO0(AGN-PC-0UZ24N) |
| Chemical Name | methyl (3S)-1-methyl-3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydroiodide |
| IUPAC Name | methyl (3S)-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate;hydroiodide |
| InChI | InChI=1S/C14H14N2O2.HI/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13;/h3-6,12,16H,7H2,1-2H3;1H/t12-;/m0./s1 |
| InChI Key | GTCPHUQIYFODEP-YDALLXLXSA-N |
| MDL Number | MFCD30185879 |
| Molecular Formula | C14H15IN2O2 |
| Molecular Weight | 370.1856 |
| SMILES | I.COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)=N1 |
| Synonyms | (S)-Methyl 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate hydroiodide,
85239-46-9,
AKOS027430234,
CS-0038708,
Methyl (S)-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate hydroiodide,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.19g/mol |
| Monoisotopic Mass | 370.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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