Glutarimide-NSC - CAS 23271-79-6
Catalog: |
BB064468 |
Product Name: |
Glutarimide-NSC |
CAS: |
23271-79-6 |
Synonyms: |
4-[2-[5-(Acetyloxy)-2-hydroxy-3,5-dimethylcyclohexyl]-2-hydroxyethyl]-1-methyl-2,6-piperidinedione; N-Methyldihydro E-73; NSC 48400 |
IUPAC Name: | [4-hydroxy-3-[1-hydroxy-2-(1-methyl-2,6-dioxopiperidin-4-yl)ethyl]-1,5-dimethylcyclohexyl] acetate |
Description: | Glutarimide-NSC is a useful intermediate used in the preparation of 3-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]glutarimide Acetate derivatives as inhibitors of neoplasms. |
Molecular Weight: | 355.43 |
Molecular Formula: | C18H29NO6 |
Canonical SMILES: | CC1CC(CC(C1O)C(CC2CC(=O)N(C(=O)C2)C)O)(C)OC(=O)C |
InChI: | InChI=1S/C18H29NO6/c1-10-8-18(3,25-11(2)20)9-13(17(10)24)14(21)5-12-6-15(22)19(4)16(23)7-12/h10,12-14,17,21,24H,5-9H2,1-4H3 |
InChI Key: | ZAXFJFYOFASANI-UHFFFAOYSA-N |
References: | Rao, Koppaka., et al. Antibiot. Chemotherapy, 12, 123 (1962). |
Complexity: | 532 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.19948764 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.19948764 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 5 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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