Cefoperazone
CAS Number: 62893-19-0
Molecular Mass: 645.7 g/mol
Formula: C25H27N9O8S2
Smiles: CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
Synonymes:
Cefoperazone, cefoperazone, 62893-19-0, Cefoperazono, Cefoperazonum, Peracef, Cefoperazon, Cefoperazona, CHEBI:3493, 7U75I1278D, DTXSID2022759, (6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure, (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-, (6R,7R)-7-(((2R)-2-((4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-((1-methyltetrazol-5-yl)sulfanylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-7-((2-((4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-((1-methyltetrazol-5-yl)sulfanylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, RefChem:918190, DTXCID702759, J01DA32, 263-749-4, 2-methyl-1H-benzimidazole-5-carbohydrazide, Cefobid, Cefoperazone acid, MFCD00865067, Cefoperazone (Cefobid), Cefoperazine, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-, Cefoperazone (sodium salt), Cefoperazone (INN), (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, C25H27N9O8S2, Cefob, Cefobid (TN), CEFOPERAZONE [INN], Cefoperazonum [INN-Latin], Cefoperazono [INN-Spanish], Cefozon, Medocef, Cefoperazone [INN:BAN], Bioperazone, Myticef, Pathozone, UNII-7U75I1278D, EINECS 263-749-4, Cefoperazone free acid, BRN 0603333, CP 52640, Cefoperazone (Standard), Prestwick0_000327, Prestwick1_000327, Prestwick2_000327, Prestwick3_000327, CEFOPERAZONE [MI], Cefoperazone dihydrate CRS, Epitope ID:174845, C4X-114937Cefoperazone, CEFOPERAZONE [VANDF], Peracef [veterinary] (TN), SCHEMBL37056, BSPBio_000333, BIDD:GT0677, CEFOPERAZONE [WHO-DD], SPBio_002254, BPBio1_000367, CHEMBL507674, orb1300769, orb1691954, GTPL12025, HY-B0210R, GLXC-23143, HMS2090M09, HY-B0210, BDBM50390999, EBC-13165, MSK000937, s1611, AKOS015895629, AC64974, CCG-270325, DB01329, NCGC00179599-01, (6R,7R)-7-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, AS-13298, SY116078, C2768, Cefoperazone 1000 microg/mL in Acetonitrile, NS00098776, SW198793-3, C06883, D07645, T38513, EN300-6733818, F802041, Q2325775, BRD-K02292852-001-02-1, BRD-K02292852-335-03-1, Z2242164637, (6R,7R)-7-((R)-2-(4-ETHYL-2,3-DIOXO-1-PIPERAZINECARBOXAMIDO)-2-(P-HYDROXYPHENYL)ACETAMIDO-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6r,7r)-7-[[(2r)-2-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl] amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1h-tetrazol-5-yl) sulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[(2R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)(4-HYDROXYPHENYL)ACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO, (6R-(6.ALPHA.,7.BETA.(R*)))-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-, 7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 278.15 | - | 57.09 | [55] |
| Acetone | 283.15 | - | 52.7 | [55] |
| Acetone | 288.15 | - | 50.03 | [55] |
| Acetone | 293.15 | - | 47.98 | [55] |
| Acetone | 298.15 | - | 46.16 | [55] |
| Acetone | 303.15 | - | 44.7 | [55] |
| Acetone | 308.15 | - | 43.7 | [55] |
| Acetone | 313.15 | - | 42.28 | [55] |
| Ethanol | 278.15 | - | 0.1873 | [55] |
| Ethanol | 283.15 | - | 0.2267 | [55] |
| Ethanol | 288.15 | - | 0.2831 | [55] |
| Ethanol | 293.15 | - | 0.3444 | [55] |
| Ethanol | 298.15 | - | 0.4096 | [55] |
| Ethanol | 303.15 | - | 0.5 | [55] |
| Ethanol | 308.15 | - | 0.624 | [55] |
| Ethanol | 313.15 | - | 0.8108 | [55] |
| Isopropanol | 278.15 | - | 0.2768 | [55] |
| Isopropanol | 283.15 | - | 0.3624 | [55] |
| Isopropanol | 288.15 | - | 0.4743 | [55] |
| Isopropanol | 293.15 | - | 0.597 | [55] |
| Isopropanol | 298.15 | - | 0.7189 | [55] |
| Isopropanol | 303.15 | - | 0.9084 | [55] |
| Isopropanol | 308.15 | - | 1.265 | [55] |
| Isopropanol | 313.15 | - | 1.7 | [55] |
| Water | 278.15 | - | 0.267 | [55] |
| Water | 283.15 | - | 0.2985 | [55] |
| Water | 288.15 | - | 0.3911 | [55] |
| Water | 293.15 | - | 0.4522 | [55] |
| Water | 298.15 | - | 0.5396 | [55] |
| Water | 303.15 | - | 0.6584 | [55] |
| Water | 308.15 | - | 0.792 | [55] |
| Water | 313.15 | - | 0.8923 | [55] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 3573.4912 |
| PMI2 | 21454.5033 |
| PMI3 | 22172.3650 |
| NPR1 | 0.1612 |
| NPR2 | 0.9676 |
| RadiusOfGyration | 6.0457 |
| InertialShapeFactor | 0.0003 |
| Eccentricity | 0.9869 |
| Asphericity | 0.5980 |
| SpherocityIndex | 0.1806 |
| PBF | 1.3512 |