Products 2987820-29-9
CAS 2987820-29-9 is the registry number for Anticancer agent 174. Offered by: MedChemExpress. Available pack sizes: Get quote.
4-[4-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]pyridin-1-ium-1-yl]butyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate bromide (CAS 2987820-29-9) is a chemical compound with the molecular formula C63H75BrN4O3S and a molecular weight of 1048.3 g/mol. IUPAC name: 4-[4-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]pyridin-1-ium-1-yl]butyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate bromide. InChIKey: QXAHTJOJXNTJOC-LFYQBKTRSA-M.
| Molecular formula | C63H75BrN4O3S |
|---|---|
| Molecular weight | 1048.3 g/mol |
| IUPAC name | 4-[4-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]pyridin-1-ium-1-yl]butyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate bromide |
| InChIKey | QXAHTJOJXNTJOC-LFYQBKTRSA-M |
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OCCCC[N+]6=CC=C(C=C6)C7=CC=C(C8=NSN=C78)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1.[Br-] |
Computed by PubChem (NCBI)
Synonyms:
Anticancer agent 174, orb2567007