Azlocillin

CAS Number: 37091-66-0

Molecular Mass: 461.5 g/mol

Formula: C₂₀H₂₃N₅O₆S

Smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O

Synonymes:

Azlocillin, azlocillin, 37091-66-0, Azlocilina, Azlocilline, Azlocillinum, CHEBI:2956, HUM6H389W0, J01CA09, NSC-758227, DTXSID1022639, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(((2R)-2-(((2-OXOIMIDAZOLIDIN-1-YL)CARBONYL)AMINO)-2-PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta(S*)))-, azlocillina, Azlocillin, Sodium, Sodium, Azlocillin, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(((2R)-2-((2-oxoimidazolidine-1-carbonyl)amino)-2-phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((2R)-2-(((2-oxoimidazolidin-1-yl)carbonyl)amino)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((2R)-2-((2-oxoimidazolidine-1-carbonyl)amino)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, RefChem:560588, Baye 6905, Bay e 6905, DTXCID201508469, 253-348-2, Azlin, Azlocilina [INN-Spanish], Azlocilline [INN-French], Azlocillinum [INN-Latin], Securopen, MFCD00864967, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[[[(2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, [2S-[2a,5a,6b(S*)]]-, Azlocillin (sodium salt), (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, Azlocillin (USAN/INN), UNII-HUM6H389W0, Azlocillin [USAN:INN:BAN], (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(R)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, EINECS 253-348-2, Azlocillin (Standard), AZLOCILLIN [MI], AZLOCILLIN [INN], Prestwick3_000821, AZLOCILLIN [USAN], AZLOCILLIN [VANDF], Epitope ID:141185, 6-((R)-2-(2-Oxoimidazolidin-1-carboxamido)-2-phenylacetamido)penicillansaeure, AZLOCILLIN [MART.], AZLOCILLIN [WHO-DD], CHEMBL1537, SCHEMBL34150, BSPBio_000741, BPBio1_000817, orb1705239, GTPL12260, MSK5641, HY-B0529, EBC-27156, AKOS025402328, AC-8140, DB01061, DS-3291, NSC 758227, 2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylic acid, CS-0009500, NS00099144, C06839, D02339, D81792, T21105, EN300-7382797, F840966, Q510154, BRD-K60663764-236-02-1, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[(2R)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((((2-OXO-1-IMIDAZOLIDINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[[[((R)-2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, (2S,5R,6R)-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	278.15	-	3.158	[235]
Acetone	283.15	-	3.647	[235]
Acetone	288.15	-	4.224	[235]
Acetone	293.15	-	5.171	[235]
Acetone	298.15	-	5.736	[235]
Acetone	303.15	-	6.94	[235]
Acetone	308.15	-	8.185	[235]
Acetone	313.15	-	9.467	[235]
Acetone	318.15	-	11.64	[235]
Acetone	323.15	-	13.43	[235]
Acetonitrile	278.15	-	4.412	[235]
Acetonitrile	283.15	-	4.917	[235]
Acetonitrile	288.15	-	5.699	[235]
Acetonitrile	293.15	-	6.662	[235]
Acetonitrile	298.15	-	7.306	[235]
Acetonitrile	303.15	-	8.106	[235]
Acetonitrile	308.15	-	9.309	[235]
Acetonitrile	313.15	-	10.44	[235]
Acetonitrile	318.15	-	11.64	[235]
Acetonitrile	323.15	-	13.16	[235]
Ethanol	278.15	-	5.528	[235]
Ethanol	283.15	-	6.437	[235]
Ethanol	288.15	-	7.589	[235]
Ethanol	293.15	-	8.948	[235]
Ethanol	298.15	-	10.32	[235]
Ethanol	303.15	-	12.93	[235]
Ethanol	308.15	-	15.35	[235]
Ethanol	313.15	-	19.0	[235]
Ethanol	318.15	-	22.83	[235]
Ethanol	323.15	-	28.24	[235]
Ethyl acetate	278.15	-	1.054	[235]
Ethyl acetate	283.15	-	1.162	[235]
Ethyl acetate	288.15	-	1.363	[235]
Ethyl acetate	293.15	-	1.467	[235]
Ethyl acetate	298.15	-	1.654	[235]
Ethyl acetate	303.15	-	1.913	[235]
Ethyl acetate	308.15	-	2.136	[235]
Ethyl acetate	313.15	-	2.424	[235]
Ethyl acetate	318.15	-	2.794	[235]
Ethyl acetate	323.15	-	3.113	[235]
Isopropanol	278.15	-	0.5533	[235]
Isopropanol	283.15	-	0.6772	[235]
Isopropanol	288.15	-	0.8009	[235]
Isopropanol	293.15	-	0.9775	[235]
Isopropanol	298.15	-	1.176	[235]
Isopropanol	303.15	-	1.432	[235]
Isopropanol	308.15	-	1.715	[235]
Isopropanol	313.15	-	2.219	[235]
Isopropanol	318.15	-	2.676	[235]
Isopropanol	323.15	-	3.25	[235]
Methanol	278.15	-	3.26	[235]
Methanol	283.15	-	3.81	[235]
Methanol	288.15	-	4.62	[235]
Methanol	293.15	-	5.448	[235]
Methanol	298.15	-	6.822	[235]
Methanol	303.15	-	8.202	[235]
Methanol	308.15	-	10.62	[235]
Methanol	313.15	-	12.8	[235]
Methanol	318.15	-	15.72	[235]
Methanol	323.15	-	19.59	[235]
Methyl acetate	278.15	-	1.6	[235]
Methyl acetate	283.15	-	1.847	[235]
Methyl acetate	288.15	-	2.18	[235]
Methyl acetate	293.15	-	2.694	[235]
Methyl acetate	298.15	-	3.267	[235]
Methyl acetate	303.15	-	3.738	[235]
Methyl acetate	308.15	-	4.321	[235]
Methyl acetate	313.15	-	5.213	[235]
Methyl acetate	318.15	-	6.007	[235]
Methyl acetate	323.15	-	7.25	[235]
Tetrahydrofuran	278.15	-	6.141	[235]
Tetrahydrofuran	283.15	-	6.622	[235]
Tetrahydrofuran	288.15	-	7.499	[235]
Tetrahydrofuran	293.15	-	8.476	[235]
Tetrahydrofuran	298.15	-	9.273	[235]
Tetrahydrofuran	303.15	-	10.0	[235]
Tetrahydrofuran	308.15	-	11.12	[235]
Tetrahydrofuran	313.15	-	12.1	[235]
Tetrahydrofuran	318.15	-	13.4	[235]
Tetrahydrofuran	323.15	-	15.13	[235]
isopropyl acetate	278.15	-	0.2776	[235]
isopropyl acetate	283.15	-	0.316	[235]
isopropyl acetate	288.15	-	0.3678	[235]
isopropyl acetate	293.15	-	0.4029	[235]
isopropyl acetate	298.15	-	0.4541	[235]
isopropyl acetate	303.15	-	0.505	[235]
isopropyl acetate	308.15	-	0.5713	[235]
isopropyl acetate	313.15	-	0.651	[235]
isopropyl acetate	318.15	-	0.7296	[235]
isopropyl acetate	323.15	-	0.8258	[235]

Molecule 3D descriptors

Descriptor	Value
PMI1	2155.3143
PMI2	8215.6182
PMI3	9340.1179
NPR1	0.2308
NPR2	0.8796
RadiusOfGyration	4.6212
InertialShapeFactor	0.0004
Eccentricity	0.9730
Asphericity	0.4613
SpherocityIndex	0.2140
PBF	1.0977