Primary record
9-[(3-{[4-({[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)butyl]carbamoyl}propyl)(4-methylbenzenesulfonyl)carbamoyl]-10-(3-sulfonatopropyl)acridin-10-ium
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177606380
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)NCCCCO/N=C\2/C[C@@H]3[C@H](CC[C@]4([C@H]3CC[C@@H]4O)C)C5=C2C=C(C=C5)O)C(=O)C6=C7C=CC=CC7=[N+](C8=CC=CC=C86)CCCS(=O)(=O)[O-]
- Canonical SMILES
- Cc1ccc(S(=O)(=O)N(CCCC(=O)NCCCCO/N=C2/C[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)c3ccc(O)cc32)C(=O)c2c3ccccc3[n+](CCCS(=O)(=O)[O-])c3ccccc23)cc1
名称与同义词
- Estradiol-6-acridinium oxime
- J1.309.852B
- 9-[(3-{[4-({[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)butyl]carbamoyl}propyl)(4-methylbenzenesulfonyl)carbamoyl]-10-(3-sulfonatopropyl)acridin-10-ium
- 9-[3-[[4-(17beta-Estradiol-6-ylideneaminooxy)butyl]carbamoyl]propyl(p-tolylsulfonyl)carbamoyl]-10-(3-sulfonatopropyl)acridinium