Cas no 61270-58-4 ((6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid)
61270-58-4 structure
Product Name:(6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
CAS No:61270-58-4
MF:C18H18N6O8S3
MW:542.565919399261
MDL:MFCD00865008
CID:57653
PubChem ID:43594
Update Time:2025-04-18
(6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Cefonicid
- (6R,7R )-7-[(R)-mandelamido]-8-oxo-3-[[[1 - (sulfomethyl) -1 H-tetrazol-5-yl] thio] methyl]-5-thia-1-azabicyclo [4. 2. 0 ] oct-2-ene-2-carboxylic acid disodium salt
- (7R)-7-(2-Hydroxy-2-phenylacetylamino)-6-oxo-3-{[1-(sulfomethyl)(1,2,3,4-tetraazol-5-ylthio)]methyl}-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic acid
- Cefodie
- Monocid
- Monocidur
- Pratled
- (6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
- (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CEFONICID [VANDF]
- Monocef
- CEFONICIDE
- 6beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)ceph-3-em-4-carboxylic acid
- (6R,7R)-7-(((2R)-2-HYDROXY-2-PHENYLACETYL)AMINO)-8-OXO-3-(((1-(SULFOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
- DB01328
- CEFONICID [WHO-DD]
- DYAIAHUQIPBDIP-AXAPSJFSSA-N
- D07644
- Cefonicidum
- (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- BIDD:GT0667
- BRN 1066181
- UNII-6532B86WFG
- SK&F 75073
- Cefonicido
- Cefonicid (INN)
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-sulfomethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6-alpha,7-beta(R*)))-
- Cefonicid [INN:BAN]
- EN300-92950
- Cefonicidum [INN-Latin]
- (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CHEMBL1601
- Cefonicido [INN-Spanish]
- CEFONICID [INN]
- CEFONICID [MI]
- DTXSID7022758
- SCHEMBL60350
- (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfomethyl)-1H-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-7-[[(2R)-2-hydroxy-1-oxo-2-phenylethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-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-(((2R)-2-HYDROXY-2-PHENYLACETYL)AMINO)-8-OXO-3-(((1-(SULFOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-, (6R,7R)-
- C06882
- A833135
- BRD-K34058848-304-03-1
- Q5057286
- (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]thio}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-8-oxidanylidene-7-[[(2R)-2-oxidanyl-2-phenyl-ethanoyl]amino]-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 61270-58-4
- CHEBI:3491
- GTPL12217
- 6532B86WFG
- Monocef (TN)
- NS00011568
- CS-0013514
- BRD-K34058848-304-01-5
- (6R,7R)-7-(((2R)-2-hydroxy-2-phenylacetyl)amino)-8-oxo-3-((1-(sulfomethyl)tetrazol-5-yl)sulfanylmethyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- Cefonicid, Sodium
- Cefonicidum (INN-Latin)
- 6beta-((2R)-2-hydroxy-2-phenylacetamido)-3-(((1-(sulfomethyl)-1H-tetrazol-5-yl)sulfanyl)methyl)ceph-3-em-4-carboxylic acid
- Monocid (TN)
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-(sulfomethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6alpha,7beta(R*)))-
- DTXCID302758
- Sodium Cefonicid
- (6R,7R)-7-((2R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-(((1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl)sulfanyl)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- Cefonicido (INN-Spanish)
- HY-B1300A
- (6R,7R)-7-(((2R)-2-hydroxy-2-phenylacetyl)amino)-8-oxo-3-(((1-(sulfomethyl)-1H-tetrazol-5-yl)sulfanyl)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- J01DA17
-
- MDL： MFCD00865008
- Inchi： 1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1
- InChI Key： DYAIAHUQIPBDIP-AXAPSJFSSA-N
- SMILES： S1CC(CSC2=NN=NN2CS(=O)(=O)O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)O)=O)=O
Computed Properties
- Exact Mass: 542.03500
- Monoisotopic Mass: 542.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 35
- Rotatable Bond Count: 10
- Complexity: 999
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.9
- Topological Polar Surface Area: 264A^2
Experimental Properties
- Density: 1.92
- Melting Point: > 160°C
- Refractive Index: 1.852
- PSA: 263.89000
- LogP: 0.49230
- Solubility: Soluble in ethyl acetate
(6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-92950-0.05g |
(6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
61270-58-4 | 95.0% | 0.05g |
$2755.0 | 2025-02-21 |
(6R,7R)-7-(2R)-2-hydroxy-2-phenylacetamido-8-oxo-3-({1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-ylsulfanyl}methyl)-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid Related Literature
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Kishore Chand,M. Ishaque Abro,Umair Aftab,Ahmer Hussain Shah,Muhammad Nazim Lakhan,Dianxue Cao,Ghazanfar Mehdi,Abdalla Mohamed Ali Mohamed RSC Adv. 2019 9 17002
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Yun-He Hong,Xiu-Li Xu,Wei-Qing Li,Bo-Zhou Xu,Han-Qiu Wu,Yan Cheng,Hong Chen,Bao-Shan Zhang,Feng Zhang Anal. Methods 2017 9 6534
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Ling-Ling Dai,Hui-Zhen Zhang,Sangaraiah Nagarajan,Syed Rasheed,Cheng-He Zhou Med. Chem. Commun. 2015 6 147
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Hao-Luo Jiang,Yu-Hao Yang,Ya-Nan Zhao,Yan-Hong He,Zhi Guan Org. Chem. Front. 2022 9 6611
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5. Antibiotic resistance: bioinformatics-based understanding as a functional strategy for drug designUmar Ndagi,Abubakar A. Falaki,Maryam Abdullahi,Monsurat M. Lawal,Mahmoud E. Soliman RSC Adv. 2020 10 18451
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