| CAS Number | 738629-59-9 |
| Catalog Number | AG005J9O(AGN-PC-01A9A5) |
| Chemical Name | 6,7-Dimethoxy-3,4-1H-isoquinoline-1-dicarboxylic acid 2-tert-butyl ester |
| IUPAC Name | 6,7-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid |
| InChI | InChI=1S/C17H23NO6/c1-17(2,3)24-16(21)18-7-6-10-8-12(22-4)13(23-5)9-11(10)14(18)15(19)20/h8-9,14H,6-7H2,1-5H3,(H,19,20) |
| InChI Key | MZMFBUXQGFWLHV-UHFFFAOYSA-N |
| MDL Number | MFCD05863624 |
| Molecular Formula | C17H23NO6 |
| Molecular Weight | 337.3676 |
| SMILES | COc1cc2c(cc1OC)CCN(C2C(=O)O)C(=O)OC(C)(C)C |
| Synonyms | 738629-59-9,
6,7-Dimethoxy-3,4--1H-isoquinoline-1-dicarboxylic acid 2-tert-butyl ester,
6,7-DIMETHOXY-3,4-1H-ISOQUINOLINE-1-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER,
SCHEMBL1202033,
CTK8E8808,
DTXSID70588744,
MFCD05863624,
AKOS030567270,
AB22639,
OR307616,
RT-010469,
T6648,
2-(tert-Butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid,
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| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.372g/mol |
| Monoisotopic Mass | 337.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number