Cefoxitin acid
CAS Number: 35607-66-0
Molecular Mass: 427.5 g/mol
Formula: C16H17N3O7S2
Smiles: CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
Synonymes:
Cefoxitin acid, cefoxitin, 35607-66-0, Cefoxitina, Cefoxitine, CEPHOXITIN, Cefoxitinum, Rephoxitin, Mefoxitin, Cenomycin, ceftoxitin, 6OEV9DX57Y, DTXSID1022764, J01DC01, CHEBI:209807, (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, DTXCID002764, MK306, (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-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, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, (6R,7S)-, MK 306, (6R,7S)-3-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-((2-thiophen-2-ylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7S)-4-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-((thiophen-2-enyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-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, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7S)-, RefChem:57281, J01DA05, 252-641-2, Mefoxin, MFCD00072014, CFX, CHEMBL996, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6R-cis)-, Cefoxitin S-Oxide, C16H17N3O7S2, (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid carbamate (ester), CAS-35607-66-0, MK-306, NCGC00183034-01, Cefoxitine [INN-French], Cefoxitinum [INN-Latin], Cefoxitina [INN-Spanish], UNII-6OEV9DX57Y, Cefoxotin, Cefoxitin [USAN:INN:BAN], 4kow, (6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbamate (ester), EINECS 252-641-2, Cefoxitin (Standard), Spectrum_001399, CEFOXITIN [INN], CEFOXITIN [MI], Cefoxitin (USAN/INN), CEFOXITIN [USAN], Prestwick0_000832, Prestwick1_000832, Prestwick2_000832, Prestwick3_000832, Spectrum2_000676, Spectrum3_001491, Spectrum4_000153, Spectrum5_001145, CEFOXITIN [VANDF], Epitope ID:116201, C06887, CEFOXITIN [USP-RS], CEFOXITIN [WHO-DD], SCHEMBL15971, BSPBio_000783, BSPBio_003101, KBioGR_000626, KBioSS_001879, DivK1c_000576, SPBio_000771, SPBio_002704, BPBio1_000863, orb1705512, CEFOXITIN [ORANGE BOOK], GTPL10937, HY-B1825R, KBio1_000576, KBio2_001879, KBio2_004447, KBio2_007015, KBio3_002601, NINDS_000576, HY-B1825, MSK10014, Tox21_113009, BDBM50335563, EBC-27061, s5951, AKOS022185232, Tox21_113009_1, DB01331, DS-5384, Cefoxitin for peak identification A CRS, IDI1_000576, NCGC00093351-06, 73356-24-8, DA-62189, FC144348, SY115637, SBI-0051927.P002, C3598, CS-0013876, NS00004232, (6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6S,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6S,7R)-4-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion, 3-Carbamoyloxymethyl-7-methoxy-8-oxo-7-(2-thiophen-3-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion, D02345, T20643, EN300-7405307, F793555, Q2353907, BRD-K70976396-236-25-2, BRD-K70976396-236-26-0, (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic Acid, (6R,7S)-3-{[(aminocarbonyl)oxy]methyl}-7-(methyloxy)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, (6R-cis)-, Cefoxitin Impurity 1, (6R,7S)-3-((Carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 278.15 | - | 1.215 | [95] |
| 1-Propanol | 283.15 | - | 1.464 | [95] |
| 1-Propanol | 288.15 | - | 1.642 | [95] |
| 1-Propanol | 293.15 | - | 1.93 | [95] |
| 1-Propanol | 298.15 | - | 2.239 | [95] |
| 1-Propanol | 303.15 | - | 2.784 | [95] |
| 1-Propanol | 308.15 | - | 3.162 | [95] |
| Acetonitrile | 278.15 | - | 3.763 | [95] |
| Acetonitrile | 283.15 | - | 4.062 | [95] |
| Acetonitrile | 288.15 | - | 4.332 | [95] |
| Acetonitrile | 293.15 | - | 4.724 | [95] |
| Acetonitrile | 298.15 | - | 5.023 | [95] |
| Acetonitrile | 303.15 | - | 5.444 | [95] |
| Acetonitrile | 308.15 | - | 6.068 | [95] |
| Ethanol | 278.15 | - | 3.006 | [95] |
| Ethanol | 283.15 | - | 3.583 | [95] |
| Ethanol | 288.15 | - | 4.441 | [95] |
| Ethanol | 293.15 | - | 5.418 | [95] |
| Ethanol | 298.15 | - | 6.216 | [95] |
| Ethanol | 303.15 | - | 7.457 | [95] |
| Ethanol | 308.15 | - | 8.483 | [95] |
| Ethyl acetate | 278.15 | - | 1.02 | [95] |
| Ethyl acetate | 283.15 | - | 1.069 | [95] |
| Ethyl acetate | 288.15 | - | 1.131 | [95] |
| Ethyl acetate | 293.15 | - | 1.166 | [95] |
| Ethyl acetate | 298.15 | - | 1.226 | [95] |
| Ethyl acetate | 303.15 | - | 1.278 | [95] |
| Ethyl acetate | 308.15 | - | 1.369 | [95] |
| Isopropanol | 278.15 | - | 0.25 | [95] |
| Isopropanol | 283.15 | - | 0.4063 | [95] |
| Isopropanol | 288.15 | - | 0.6148 | [95] |
| Isopropanol | 293.15 | - | 0.8428 | [95] |
| Isopropanol | 298.15 | - | 1.032 | [95] |
| Isopropanol | 303.15 | - | 1.342 | [95] |
| Isopropanol | 308.15 | - | 1.726 | [95] |
| Methanol | 278.15 | - | 61.0 | [95] |
| Methanol | 283.15 | - | 70.67 | [95] |
| Methanol | 288.15 | - | 82.56 | [95] |
| Methanol | 293.15 | - | 97.93 | [95] |
| Methanol | 298.15 | - | 116.4 | [95] |
| Methanol | 303.15 | - | 136.2 | [95] |
| Methanol | 308.15 | - | 157.3 | [95] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2042.6335 |
| PMI2 | 5039.1682 |
| PMI3 | 5619.7487 |
| NPR1 | 0.3635 |
| NPR2 | 0.8967 |
| RadiusOfGyration | 3.8545 |
| InertialShapeFactor | 0.0004 |
| Eccentricity | 0.9316 |
| Asphericity | 0.2741 |
| SpherocityIndex | 0.3093 |
| PBF | 1.0811 |