Benorilate

CAS Number: 5003-48-5

Molecular Mass: 313.3 g/mol

Formula: C₁₇H₁₅NO₅

Smiles: CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1

Synonymes:

Benorilate, 5003-48-5, BENORYLATE, Fenasprate, Benorilato, WIN 11450, Benorilatum, Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester, 4-Acetamidophenyl salicylate acetate, DTXSID5022649, W1QX9DV96G, WIN-11450, 4-acetamidophenyl 2-(acetyloxy)benzoate, DTXCID202649, Triadol, 4-acetamidophenyl-O-acetylsalicylate, 2-acetoxy-4'-acetaminophenylbenzoate, RefChem:117016, N02BA10, 225-674-5, 4-acetamidophenyl 2-acetoxybenzoate, Salipran, Benoral, Benortan, Fenasparate, Aspirin acetaminophen ester, p-Acetamidophenyl acetylsalicylate, p-N-Acetylaminophenylacetylsalicylate, TO 125, 2-Acetoxy-4'-(acetamino)phenylbenzoate, 4'-(Acetamido)phenyl-2-acetoxybenzoate, 2-(Acetyloxy)benzoic acid 4-(acetylamino)phenyl ester, MFCD00864257, Benorilate (INN), Salicylic acid, acetate, ester with 4'-hydroxyacetanilide, NCGC00167468-01, BENORILATE [INN], 4-(Acetylamino)phenyl 2-(acetyloxy)benzoate, Benorilato [Spanish], Quinexin, Benorilatum [INN-Latin], Benorilato [INN-Spanish], CAS-5003-48-5, (4-acetamidophenyl) 2-acetyloxybenzoate, CCRIS 1739, EINECS 225-674-5, UNII-W1QX9DV96G, BRN 2166628, Benorilate [INN:BAN:DCF], Benorilate (Standard), BENORYLATE [MI], BENORILATE [MART.], BENORILATE [WHO-DD], SCHEMBL25167, CHEMBL162036, orb1304355, SCHEMBL27446831, CHEBI:135340, GLXC-08163, HMS5084M15, MSK10529, Tox21_112472, EBC-26748, s5043, (4-acetamidophenyl) 2-acetoxybenzoate, AKOS016010035, Tox21_112472_1, CCG-267615, DB13657, HY-107795R, KS-5206, NCGC00167468-02, AC-12036, AS-13290, Benorilate 100 microg/mL in Acetonitrile, HY-107795, B4827, CS-0030669, NS00003960, 4-(Acetylamino)phenyl 2-(acetyloxy)benzoate #, D07291, EN300-18124278, Q373243, SR-01000944978, SR-01000944978-1

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	293.15	-	6.237	[127]
1,4-Dioxane	298.15	-	7.465	[127]
1,4-Dioxane	303.15	-	9.11	[127]
1,4-Dioxane	308.15	-	10.82	[127]
1,4-Dioxane	313.15	-	12.63	[127]
1,4-Dioxane	318.15	-	15.35	[127]
1-Butanol	278.15	-	1.048	[125]
1-Butanol	278.15	-	0.6213	[127]
1-Butanol	283.15	-	1.407	[125]
1-Butanol	283.15	-	0.812	[127]
1-Butanol	288.15	-	1.779	[125]
1-Butanol	288.15	-	1.0	[127]
1-Butanol	293.15	-	2.202	[125]
1-Butanol	293.15	-	1.284	[127]
1-Butanol	298.15	-	2.604	[125]
1-Butanol	298.15	-	1.564	[127]
1-Butanol	303.15	-	3.186	[125]
1-Butanol	303.15	-	1.889	[127]
1-Butanol	308.15	-	4.297	[125]
1-Butanol	308.15	-	2.306	[127]
1-Butanol	313.15	-	4.795	[125]
1-Butanol	313.15	-	2.863	[127]
1-Butanol	318.15	-	5.828	[125]
1-Butanol	318.15	-	3.469	[127]
1-Propanol	278.15	-	0.7701	[125]
1-Propanol	278.15	-	0.374	[127]
1-Propanol	283.15	-	1.135	[125]
1-Propanol	283.15	-	0.5419	[127]
1-Propanol	288.15	-	1.52	[125]
1-Propanol	288.15	-	0.7284	[127]
1-Propanol	293.15	-	2.351	[125]
1-Propanol	293.15	-	0.8966	[127]
1-Propanol	298.15	-	3.016	[125]
1-Propanol	298.15	-	1.101	[127]
1-Propanol	303.15	-	4.127	[125]
1-Propanol	303.15	-	1.357	[127]
1-Propanol	308.15	-	5.375	[125]
1-Propanol	308.15	-	1.66	[127]
1-Propanol	313.15	-	6.818	[125]
1-Propanol	313.15	-	2.037	[127]
1-Propanol	318.15	-	9.09	[125]
1-Propanol	318.15	-	2.644	[127]
Acetone	278.15	-	9.362	[125]
Acetone	283.15	-	11.62	[125]
Acetone	288.15	-	15.21	[125]
Acetone	293.15	-	17.73	[125]
Acetone	298.15	-	22.14	[125]
Acetone	303.15	-	25.09	[125]
Acetone	308.15	-	33.31	[125]
Acetone	313.15	-	40.99	[125]
Acetone	318.15	-	51.13	[125]
Acetonitrile	278.15	-	7.869	[125]
Acetonitrile	278.15	-	4.155	[127]
Acetonitrile	283.15	-	9.296	[125]
Acetonitrile	283.15	-	5.181	[127]
Acetonitrile	288.15	-	11.54	[125]
Acetonitrile	288.15	-	6.344	[127]
Acetonitrile	293.15	-	14.05	[125]
Acetonitrile	293.15	-	7.993	[127]
Acetonitrile	298.15	-	16.35	[125]
Acetonitrile	298.15	-	9.762	[127]
Acetonitrile	303.15	-	22.32	[125]
Acetonitrile	303.15	-	11.76	[127]
Acetonitrile	308.15	-	26.53	[125]
Acetonitrile	308.15	-	13.83	[127]
Acetonitrile	313.15	-	33.54	[125]
Acetonitrile	313.15	-	16.49	[127]
Acetonitrile	318.15	-	39.1	[125]
Acetonitrile	318.15	-	19.6	[127]
Amyl Acetate	278.15	-	0.6649	[128]
Amyl Acetate	283.15	-	0.8384	[128]
Amyl Acetate	288.15	-	1.084	[128]
Amyl Acetate	293.15	-	1.348	[128]
Amyl Acetate	298.15	-	1.667	[128]
Amyl Acetate	303.15	-	2.052	[128]
Amyl Acetate	308.15	-	2.519	[128]
Amyl Acetate	313.15	-	3.073	[128]
Amyl Acetate	318.15	-	3.683	[128]
Amyl Acetate	323.15	-	4.413	[128]
Butyl acetate	278.15	-	1.164	[128]
Butyl acetate	283.15	-	1.463	[128]
Butyl acetate	288.15	-	1.738	[128]
Butyl acetate	293.15	-	2.138	[128]
Butyl acetate	298.15	-	2.506	[128]
Butyl acetate	303.15	-	3.06	[128]
Butyl acetate	308.15	-	3.746	[128]
Butyl acetate	313.15	-	4.397	[128]
Butyl acetate	318.15	-	5.305	[128]
Butyl acetate	323.15	-	6.277	[128]
Dimethyl sulfoxide	293.15	-	176.7	[128]
Dimethyl sulfoxide	298.15	-	213.2	[128]
Dimethyl sulfoxide	303.15	-	251.7	[128]
Dimethyl sulfoxide	308.15	-	296.2	[128]
Dimethyl sulfoxide	313.15	-	347.6	[128]
Dimethyl sulfoxide	318.15	-	408.6	[128]
Dimethyl sulfoxide	323.15	-	478.0	[128]
Dimethylacetamide	278.15	-	211.0	[128]
Dimethylacetamide	283.15	-	227.1	[128]
Dimethylacetamide	288.15	-	250.7	[128]
Dimethylacetamide	293.15	-	274.3	[128]
Dimethylacetamide	298.15	-	298.5	[128]
Dimethylacetamide	303.15	-	321.1	[128]
Dimethylacetamide	308.15	-	351.6	[128]
Dimethylacetamide	313.15	-	379.6	[128]
Dimethylacetamide	318.15	-	414.6	[128]
Dimethylacetamide	323.15	-	449.9	[128]
Dimethylformamide	278.15	-	73.37	[126]
Dimethylformamide	278.15	-	72.43	[127]
Dimethylformamide	283.15	-	78.33	[126]
Dimethylformamide	283.15	-	76.24	[127]
Dimethylformamide	288.15	-	83.8	[126]
Dimethylformamide	288.15	-	79.93	[127]
Dimethylformamide	293.15	-	89.1	[126]
Dimethylformamide	293.15	-	84.44	[127]
Dimethylformamide	298.15	-	94.75	[126]
Dimethylformamide	298.15	-	88.99	[127]
Dimethylformamide	303.15	-	100.5	[126]
Dimethylformamide	303.15	-	93.94	[127]
Dimethylformamide	308.15	-	106.1	[126]
Dimethylformamide	308.15	-	99.31	[127]
Dimethylformamide	313.15	-	112.1	[126]
Dimethylformamide	318.15	-	118.0	[126]
Ethanol	278.15	-	1.321	[125]
Ethanol	278.15	-	1.427	[126]
Ethanol	278.15	-	0.8626	[127]
Ethanol	283.15	-	1.975	[125]
Ethanol	283.15	-	1.9	[126]
Ethanol	283.15	-	1.14	[127]
Ethanol	288.15	-	2.683	[125]
Ethanol	288.15	-	2.45	[126]
Ethanol	288.15	-	1.43	[127]
Ethanol	293.15	-	3.229	[125]
Ethanol	293.15	-	3.16	[126]
Ethanol	293.15	-	1.751	[127]
Ethanol	298.15	-	3.833	[125]
Ethanol	298.15	-	4.034	[126]
Ethanol	298.15	-	2.153	[127]
Ethanol	303.15	-	5.247	[125]
Ethanol	303.15	-	5.037	[126]
Ethanol	303.15	-	2.582	[127]
Ethanol	308.15	-	6.614	[125]
Ethanol	308.15	-	6.37	[126]
Ethanol	308.15	-	3.112	[127]
Ethanol	313.15	-	8.168	[125]
Ethanol	313.15	-	7.947	[126]
Ethanol	313.15	-	3.852	[127]
Ethanol	318.15	-	10.48	[125]
Ethanol	318.15	-	9.985	[126]
Ethanol	318.15	-	4.739	[127]
Ethyl acetate	278.15	-	2.955	[125]
Ethyl acetate	278.15	-	1.281	[127]
Ethyl acetate	283.15	-	3.535	[125]
Ethyl acetate	283.15	-	1.686	[127]
Ethyl acetate	288.15	-	3.724	[125]
Ethyl acetate	288.15	-	2.1	[127]
Ethyl acetate	293.15	-	4.73	[125]
Ethyl acetate	293.15	-	2.528	[127]
Ethyl acetate	298.15	-	5.691	[125]
Ethyl acetate	298.15	-	3.13	[127]
Ethyl acetate	303.15	-	6.841	[125]
Ethyl acetate	303.15	-	3.76	[127]
Ethyl acetate	308.15	-	8.427	[125]
Ethyl acetate	308.15	-	4.426	[127]
Ethyl acetate	313.15	-	10.16	[125]
Ethyl acetate	313.15	-	5.266	[127]
Ethyl acetate	318.15	-	12.14	[125]
Ethyl acetate	318.15	-	6.138	[127]
Ethyl formate	278.15	-	3.84	[125]
Ethyl formate	283.15	-	4.403	[125]
Ethyl formate	288.15	-	5.403	[125]
Ethyl formate	293.15	-	6.432	[125]
Ethyl formate	298.15	-	7.476	[125]
Ethyl formate	303.15	-	8.748	[125]
Ethyl formate	308.15	-	11.43	[125]
Ethyl formate	313.15	-	14.97	[125]
Ethyl formate	318.15	-	16.97	[125]
Isobutanol	278.15	-	0.7018	[125]
Isobutanol	283.15	-	0.9312	[125]
Isobutanol	288.15	-	1.172	[125]
Isobutanol	293.15	-	1.645	[125]
Isobutanol	298.15	-	1.981	[125]
Isobutanol	303.15	-	2.483	[125]
Isobutanol	308.15	-	3.588	[125]
Isobutanol	313.15	-	4.36	[125]
Isobutanol	318.15	-	5.319	[125]
Isopropanol	278.15	-	0.6371	[125]
Isopropanol	278.15	-	0.588	[126]
Isopropanol	278.15	-	0.316	[127]
Isopropanol	283.15	-	0.8946	[125]
Isopropanol	283.15	-	0.7898	[126]
Isopropanol	283.15	-	0.4431	[127]
Isopropanol	288.15	-	1.075	[125]
Isopropanol	288.15	-	1.06	[126]
Isopropanol	288.15	-	0.5725	[127]
Isopropanol	293.15	-	1.286	[125]
Isopropanol	293.15	-	1.418	[126]
Isopropanol	293.15	-	0.7291	[127]
Isopropanol	298.15	-	1.96	[125]
Isopropanol	298.15	-	1.859	[126]
Isopropanol	298.15	-	0.8838	[127]
Isopropanol	303.15	-	2.403	[125]
Isopropanol	303.15	-	2.449	[126]
Isopropanol	303.15	-	1.062	[127]
Isopropanol	308.15	-	3.359	[125]
Isopropanol	308.15	-	3.147	[126]
Isopropanol	308.15	-	1.302	[127]
Isopropanol	313.15	-	4.237	[125]
Isopropanol	313.15	-	4.117	[126]
Isopropanol	313.15	-	1.578	[127]
Isopropanol	318.15	-	5.478	[125]
Isopropanol	318.15	-	5.211	[126]
Isopropanol	318.15	-	1.964	[127]
Methanol	278.15	-	3.363	[125]
Methanol	278.15	-	1.126	[127]
Methanol	283.15	-	4.502	[125]
Methanol	283.15	-	1.425	[127]
Methanol	288.15	-	5.59	[125]
Methanol	288.15	-	1.774	[127]
Methanol	293.15	-	7.029	[125]
Methanol	293.15	-	2.151	[127]
Methanol	298.15	-	7.712	[125]
Methanol	298.15	-	2.592	[127]
Methanol	303.15	-	9.879	[125]
Methanol	303.15	-	3.081	[127]
Methanol	308.15	-	13.04	[125]
Methanol	308.15	-	3.686	[127]
Methanol	313.15	-	15.87	[125]
Methanol	313.15	-	4.54	[127]
Methanol	318.15	-	20.39	[125]
Methanol	318.15	-	5.594	[127]
Methyl acetate	278.15	-	3.918	[125]
Methyl acetate	278.15	-	4.455	[128]
Methyl acetate	283.15	-	4.84	[125]
Methyl acetate	283.15	-	5.53	[128]
Methyl acetate	288.15	-	6.156	[125]
Methyl acetate	288.15	-	6.551	[128]
Methyl acetate	293.15	-	7.243	[125]
Methyl acetate	293.15	-	7.857	[128]
Methyl acetate	298.15	-	9.04	[125]
Methyl acetate	298.15	-	9.374	[128]
Methyl acetate	303.15	-	10.43	[125]
Methyl acetate	303.15	-	11.28	[128]
Methyl acetate	308.15	-	13.18	[125]
Methyl acetate	308.15	-	13.37	[128]
Methyl acetate	313.15	-	15.66	[125]
Methyl acetate	313.15	-	15.87	[128]
Methyl acetate	318.15	-	18.41	[125]
Methyl acetate	318.15	-	18.97	[128]
Methyl acetate	323.15	-	22.93	[128]
Methyl ethyl ketone	278.15	-	8.94	[127]
Methyl ethyl ketone	283.15	-	9.489	[127]
Methyl ethyl ketone	288.15	-	10.12	[127]
Methyl ethyl ketone	293.15	-	10.8	[127]
Methyl ethyl ketone	298.15	-	11.6	[127]
Methyl ethyl ketone	303.15	-	12.49	[127]
Methyl ethyl ketone	308.15	-	13.5	[127]
Methyl ethyl ketone	313.15	-	14.69	[127]
Methyl ethyl ketone	318.15	-	15.82	[127]
N-Methyl-2-pyrrolidone	278.15	-	75.18	[126]
N-Methyl-2-pyrrolidone	278.15	-	70.69	[127]
N-Methyl-2-pyrrolidone	283.15	-	86.09	[126]
N-Methyl-2-pyrrolidone	283.15	-	80.94	[127]
N-Methyl-2-pyrrolidone	288.15	-	97.47	[126]
N-Methyl-2-pyrrolidone	288.15	-	91.67	[127]
N-Methyl-2-pyrrolidone	293.15	-	109.9	[126]
N-Methyl-2-pyrrolidone	293.15	-	102.4	[127]
N-Methyl-2-pyrrolidone	298.15	-	124.2	[126]
N-Methyl-2-pyrrolidone	298.15	-	114.9	[127]
N-Methyl-2-pyrrolidone	303.15	-	138.6	[126]
N-Methyl-2-pyrrolidone	303.15	-	127.1	[127]
N-Methyl-2-pyrrolidone	308.15	-	155.9	[126]
N-Methyl-2-pyrrolidone	308.15	-	140.1	[127]
N-Methyl-2-pyrrolidone	313.15	-	174.1	[126]
N-Methyl-2-pyrrolidone	313.15	-	156.2	[127]
N-Methyl-2-pyrrolidone	318.15	-	193.3	[126]
N-Methyl-2-pyrrolidone	318.15	-	172.2	[127]
Propyl acetate	278.15	-	1.474	[128]
Propyl acetate	283.15	-	1.803	[128]
Propyl acetate	288.15	-	2.282	[128]
Propyl acetate	293.15	-	2.851	[128]
Propyl acetate	298.15	-	3.443	[128]
Propyl acetate	303.15	-	4.141	[128]
Propyl acetate	308.15	-	4.979	[128]
Propyl acetate	313.15	-	5.877	[128]
Propyl acetate	318.15	-	7.271	[128]
Propyl acetate	323.15	-	8.526	[128]
Toluene	278.15	-	0.0389	[127]
Toluene	283.15	-	0.0536	[127]
Toluene	288.15	-	0.0741	[127]
Toluene	293.15	-	0.1	[127]
Toluene	298.15	-	0.126	[127]
Toluene	303.15	-	0.16	[127]
Toluene	308.15	-	0.197	[127]
Toluene	313.15	-	0.248	[127]
Toluene	318.15	-	0.3098	[127]
Water	278.15	-	0.0097	[126]
Water	283.15	-	0.0149	[126]
Water	288.15	-	0.0206	[126]
Water	293.15	-	0.0302	[126]
Water	298.15	-	0.04243	[126]
Water	303.15	-	0.0603	[126]
Water	308.15	-	0.08332	[126]
Water	313.15	-	0.1163	[126]
Water	318.15	-	0.1549	[126]
isopropyl acetate	278.15	-	0.9014	[125]
isopropyl acetate	283.15	-	1.151	[125]
isopropyl acetate	288.15	-	1.51	[125]
isopropyl acetate	293.15	-	2.378	[125]
isopropyl acetate	298.15	-	2.825	[125]
isopropyl acetate	303.15	-	3.84	[125]
isopropyl acetate	308.15	-	4.961	[125]
isopropyl acetate	313.15	-	6.271	[125]
isopropyl acetate	318.15	-	8.122	[125]

Molecule 3D descriptors

Descriptor	Value
PMI1	756.8292
PMI2	4619.1071
PMI3	4916.8605
NPR1	0.1539
NPR2	0.9394
RadiusOfGyration	4.0529
InertialShapeFactor	0.0012
Eccentricity	0.9881
Asphericity	0.6100
SpherocityIndex	0.1504
PBF	0.8075