| CAS Number | 1214193-64-2 |
| Catalog Number | AG00HG4B(AGN-PC-0WR0A9) |
| Chemical Name | Methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylate, HCl |
| IUPAC Name | methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C20H20N2O3.ClH/c1-24-13-9-7-12(8-10-13)18-19-15(11-17(22-18)20(23)25-2)14-5-3-4-6-16(14)21-19;/h3-10,17-18,21-22H,11H2,1-2H3;1H |
| InChI Key | JESCRRALOOEKCX-UHFFFAOYSA-N |
| MDL Number | MFCD11655703 |
| Molecular Formula | C20H21ClN2O3 |
| Molecular Weight | 372.8453 |
| SMILES | COc1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)OC.Cl |
| Synonyms | 1214193-64-2,
Methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylate, HCl,
Methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride,
CAE-0018,
ZX-BK003006,
KM5108,
AKOS005143956,
METHYL 1-(4-METHOXYPHENYL)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLATE HYDROCHLORIDE,
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| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.849g/mol |
| Monoisotopic Mass | 372.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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