| CAS Number | 72296-47-0 |
| Catalog Number | AG00FDMK(AGN-PC-0WAISR) |
| Chemical Name | Apovincaminic acid (hydrochloride salt) |
| IUPAC Name | 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C20H22N2O2.ClH/c1-2-20-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(17(14)18(20)21)16(12-20)19(23)24;/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,23,24);1H |
| InChI Key | LXMYBTYOASVVKL-UHFFFAOYSA-N |
| MDL Number | MFCD28899172 |
| Molecular Formula | C20H23ClN2O2 |
| Molecular Weight | 358.8618 |
| SMILES | C([C@@]12C=C(C(=O)O)N3C4=CC=CC=C4C4CCN(CCC1)[C@]2([H])C3=4)C.[H]Cl |
| Synonyms | Apovincaminic Acid Hydrochloride Salt,
72296-47-0,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.866g/mol |
| Monoisotopic Mass | 358.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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