HRID1045324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

HCID2678

Cetirizine

C21H25ClN2O3

2 次

结构：C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF

HCID5311101

Fluticasone

C22H27F3O4S

2 次

PRODUCTS

生成物

结构：C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

HCID131730919

未命名化合物

PROCEDURE

实验过程

The purpose of this example was to evaluate the efficacy of cetirizine 0.1%/fluticasone 0.005% ophthalmic suspension compared to cetirizine 0.1% ophthalmic suspension, fluticasone 0.005% ophthalmic suspension and vehicle in the prevention of the signs and symptoms of allergic conjunctivitis in a modified CAC model.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14ee4efaa114404cba65dbe412644580
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08569273B2
来源说明: uspto-grants-2013_10

反应 SMILES

[CH:1]1[CH:2]=[CH:3][C:4]([CH:7]([N:15]2[CH2:20][CH2:19][N:18]([CH2:21][CH2:22][O:23][CH2:24][C:25]([OH:27])=[O:26])[CH2:17][CH2:16]2)[C:8]2[CH:9]=[CH:10][C:11]([Cl:14])=[CH:12][CH:13]=2)=[CH:5][CH:6]=1.[CH3:28][C@H:29]1[C@:46]([OH:52])([C:47]([S:49][CH2:50][F:51])=[O:48])[C@:45]2([CH3:53])[C@H:31]([C@H:32]3[C@:42]([F:55])([C@@H:43]([OH:54])[CH2:44]2)[C@:41]2([CH3:56])[C:35](=[CH:36][C:37]([CH:39]=[CH:40]2)=[O:38])[C@@H:34]([F:57])[CH2:33]3)[CH2:30]1>>[CH:1]1[CH:2]=[CH:3][C:4]([CH:7]([N:15]2[CH2:20][CH2:19][N:18]([CH2:21][CH2:22][O:23][CH2:24][C:25]([OH:27])=[O:26])[CH2:17][CH2:16]2)[C:8]2[CH:9]=[CH:10][C:11]([Cl:14])=[CH:12][CH:13]=2)=[CH:5][CH:6]=1.[CH3:28][C@H:29]1[C@:46]([OH:52])([C:47]([S:49][CH2:50][F:51])=[O:48])[C@:45]2([CH3:53])[C@H:31]([C@H:32]3[C@:42]([F:55])([C@@H:43]([OH:54])[CH2:44]2)[C@:41]2([CH3:56])[C:35](=[CH:36][C:37]([CH:39]=[CH:40]2)=[O:38])[C@@H:34]([F:57])[CH2:33]3)[CH2:30]1