Cefazolin acid
CAS Number: 25953-19-9
Molecular Mass: 454.5 g/mol
Formula: C14H14N8O4S3
Smiles: Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
Synonymes:
Cefazolin acid, cefazolin, 25953-19-9, Cephazolin, Cefazoline, Cephamezine, Cefamezin, Cephazoline, Cephazolidin, Cefazolina, Cefazolinum, Elzogram, (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, IHS69L0Y4T, DTXSID2022753, J01DB04, CHEBI:474053, DTXCID302753, (6R,7R)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, SK&F-41558, (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-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-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-, (6R,7R)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl)methyl)-8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl)methyl)-8-oxo-7-(2-(1H-1,2,3,4-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-3-((5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl)-8-oxo-7-((2-(tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, RefChem:54731, 247-362-8, CEZ, C14H14N8O4S3, Cefazina, Firmacef, Liviclina, Atirin, Acef, (6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, NCGC00159465-02, Cefazoline [INN-French], Cefazolinum [INN-Latin], Cefazolina [INN-Spanish], Cephamezine, Cephazoline, Cefazolin (USP), SMR000387025, CAS-25953-19-9, HSDB 3213, EINECS 247-362-8, UNII-IHS69L0Y4T, BRN 4169371, Cefazolin [USP:INN:BAN], Cefazolin CRS, Cefazolin, (6R,7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, (6R,7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Cefazolin (Standard), (6R-trans)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)-amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(1-(1H-)-Tetrazolylacetamido)-3-(2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl)delta3-cephem-4-carboxylic acid, Spectrum_000106, CEFAZOLIN [INN], CEFAZOLIN [MI], CEFAZOLIN [HSDB], Prestwick0_000736, Prestwick1_000736, Prestwick2_000736, Prestwick3_000736, Spectrum2_001140, Spectrum3_000330, Spectrum4_000267, Spectrum5_000665, CEFAZOLIN [VANDF], CEFAZOLIN [MART.], Epitope ID:116197, EC 247-362-8, CEFAZOLIN [USP-RS], CEFAZOLIN [WHO-DD], SCHEMBL2841, CHEMBL1435, Lopac0_000274, BSPBio_000692, BSPBio_001939, KBioGR_000734, KBioSS_000546, MLS001032060, MLS001049010, DivK1c_000014, SPBio_001039, SPBio_002631, BPBio1_000762, orb1298974, GTPL10935, HY-B1892R, KBio1_000014, KBio2_000546, KBio2_003114, KBio2_005682, KBio3_001159, CEFAZOLIN [USP MONOGRAPH], MSK7014, NINDS_000014, GLXC-10539, HMS2268D15, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, (6R,7R)-, HY-B1892, Tox21_111691, BDBM50370587, EBC-27140, MFCD00243010, s5936, AKOS015962265, Tox21_111691_1, DB01327, SDCCGSBI-0050262.P005, IDI1_000014, NCGC00022653-09, (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)amino)-, (6R-trans)-, AC-16010, AC172185, BS-52943, Cefazolin 1000 microg/mL in Acetonitrile, SBI-0050262.P004, CS-0013954, C06880, D02299, F87674, EN300-6731073, F863147, Q415739, BRD-K99750640-236-18-7, BRD-K99750640-236-19-5, (6R, 7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2- yl)thio]methyl]-8-oxo-7-[[1H-tetrazol-1- yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2- ene-2-carboxylic acid, (6R,7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-tetrazol-1-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-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-7-(((1H-TETRAZOL-1-YL)ACETYL)AMINO)-(6R-TRANS), 50918-36-0
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 278.15 | - | 0.5022 | [428] |
| Acetone | 283.15 | - | 0.7617 | [428] |
| Acetone | 288.15 | - | 0.9141 | [428] |
| Acetone | 293.15 | - | 1.027 | [428] |
| Acetone | 298.15 | - | 1.094 | [428] |
| Acetone | 303.15 | - | 1.193 | [428] |
| Acetone | 308.15 | - | 1.287 | [428] |
| Dimethylformamide | 278.15 | - | 1009.6 | [428] |
| Dimethylformamide | 283.15 | - | 1143.3 | [428] |
| Dimethylformamide | 288.15 | - | 1142.1 | [428] |
| Dimethylformamide | 293.15 | - | 1141.1 | [428] |
| Dimethylformamide | 298.15 | - | 1165.4 | [428] |
| Dimethylformamide | 303.15 | - | 1171.6 | [428] |
| Dimethylformamide | 308.15 | - | 1187.1 | [428] |
| Isopropanol | 278.15 | - | 0.0172 | [428] |
| Isopropanol | 283.15 | - | 0.0172 | [428] |
| Isopropanol | 288.15 | - | 0.0286 | [428] |
| Isopropanol | 293.15 | - | 0.0348 | [428] |
| Isopropanol | 298.15 | - | 0.0433 | [428] |
| Isopropanol | 303.15 | - | 0.0636 | [428] |
| Isopropanol | 308.15 | - | 0.0775 | [428] |
| Methanol | 278.15 | - | 0.9011 | [428] |
| Methanol | 283.15 | - | 0.9127 | [428] |
| Methanol | 288.15 | - | 1.053 | [428] |
| Methanol | 293.15 | - | 1.113 | [428] |
| Methanol | 298.15 | - | 1.244 | [428] |
| Methanol | 303.15 | - | 1.515 | [428] |
| Methanol | 308.15 | - | 1.82 | [428] |
| Water | 278.15 | - | 0.2199 | [428] |
| Water | 283.15 | - | 0.3072 | [428] |
| Water | 288.15 | - | 0.3472 | [428] |
| Water | 293.15 | - | 0.3846 | [428] |
| Water | 298.15 | - | 0.4506 | [428] |
| Water | 303.15 | - | 0.563 | [428] |
| Water | 308.15 | - | 0.6295 | [428] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1290.9171 |
| PMI2 | 11200.1006 |
| PMI3 | 11918.9858 |
| NPR1 | 0.1083 |
| NPR2 | 0.9397 |
| RadiusOfGyration | 5.1819 |
| InertialShapeFactor | 0.0007 |
| Eccentricity | 0.9941 |
| Asphericity | 0.7105 |
| SpherocityIndex | 0.0966 |
| PBF | 0.7730 |