Thiazines

Cefsulodin Sodium Salt MP Biomedicals

CAS: 52152-93-9 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]

Cefotaxime sodium salt, 95%, ACROS Organics™

CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.442 InChI Key: AZZMGZXNTDTSME-LOSLGVLSSA-M PubChem CID: 88631411 IUPAC Name: sodium;(6S,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

Cefotaxime Sodium Salt 96.0+%, TCI America™

CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.442 MDL Number: MFCD00079073 InChI Key: AZZMGZXNTDTSME-LOSLGVLSSA-M Synonym: 6r-6-a,7-b z-3-acetyloxy methyl-7-2-amino-4-thiazolyl methoxyimio acetyl amino-8-oxo-5-thia-1-azabicyclo 4,2,0 oct-2-ene-2-carboxylic acid, sodium salt, cefoperazone sodium salt u.s.p., cefotaxime sodium, sodium 3-acetyloxy methyl-7-2-amino-1,3-thiazol-4-yl methoxyimino acetyl amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2, sodium 3-acetyloxymethyl-7-2-2-amino-4-thiazolyl-2-methoxyimino-1-oxoethyl amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate, sodium 3-acetyloxymethyl-7-2-2-azanyl-1,3-thiazol-4-yl-2-methoxyimino-ethanoyl amino-8-oxidanylidene-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate, sodium 6r,7r-3-acetyloxy methyl-7-2-2-amino-1,3-thiazol-4-yl-2-methoxyimino acetamido-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate PubChem CID: 88631411 IUPAC Name: sodium;(6S,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

Alfa Aesar™ Cefotaxime sodium salt

CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.442 MDL Number: MFCD00079073 InChI Key: AZZMGZXNTDTSME-LOSLGVLSSA-M PubChem CID: 88631411 IUPAC Name: sodium;(6S,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

Cefsulodin sodium salt, 99% purity, For HPLC analysis, 93%, MP Biomedicals™

CAS: 52152-93-9 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]

Cephalothin 98.0+%, TCI America™

CAS: 153-61-7 Molecular Formula: C16H16N2O6S2 Molecular Weight (g/mol): 396.432 MDL Number: MFCD00242614 InChI Key: XIURVHNZVLADCM-IUODEOHRSA-N Synonym: Cephalotin, 7-(2-Thienylacetamido)cephalosporanic Acid PubChem CID: 6024 ChEBI: CHEBI:124991 IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

Ceftezole 98.0+%, TCI America™

CAS: 26973-24-0 Molecular Formula: C13H12N8O4S3 Molecular Weight (g/mol): 440.471 MDL Number: MFCD00274176 InChI Key: DZMVCVMFETWNIU-LDYMZIIASA-N PubChem CID: 65755 IUPAC Name: (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4

Alfa Aesar™ Cephalexin hydrate, 97+%

CAS: 15686-71-2 Molecular Formula: C16H20ClN3O5S Molecular Weight (g/mol): 401.862 MDL Number: MFCD00167148 InChI Key: YHJDZIQOCSDIQU-OEDJVVDHSA-N PubChem CID: 57515946 IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride;hydrate SMILES: [H+].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.[Cl-]

Ceftizoxime 98.0+%, TCI America™

CAS: 68401-81-0 Molecular Formula: C13H13N5O5S2 Molecular Weight (g/mol): 383.397 MDL Number: MFCD00072000 InChI Key: NNULBSISHYWZJU-NNFJCDMRSA-N PubChem CID: 12775087 IUPAC Name: (6S,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

Alfa Aesar™ Cefpodoxime proxetil, 96%

CAS: 87239-81-4 Molecular Formula: C21H27N5O9S2 Molecular Weight (g/mol): 557.593 MDL Number: MFCD00865088 InChI Key: LTINZAODLRIQIX-FBXRGJNPSA-N PubChem CID: 6526396 ChEBI: CHEBI:3505 IUPAC Name: 1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)COC

Alfa Aesar™ Cefoxitin, 98%

CAS: 35607-66-0 Molecular Formula: C16H17N3O7S2 Molecular Weight (g/mol): 427.446 MDL Number: MFCD00072014 InChI Key: WZOZEZRFJCJXNZ-ZBFHGGJFSA-N PubChem CID: 441199 ChEBI: CHEBI:209807 IUPAC Name: (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 SMILES: COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3

Alfa Aesar™ Ceftibuten, 95%

CAS: 97519-39-6 Molecular Formula: C15H14N4O6S2 Molecular Weight (g/mol): 410.419 MDL Number: MFCD00864918 InChI Key: UNJFKXSSGBWRBZ-BJCIPQKHSA-N PubChem CID: 5282242 ChEBI: CHEBI:3510 IUPAC Name: (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O

Alfa Aesar™ Phenothiazine, 98+%

CAS: 92-84-2 Molecular Formula: C12H9NS Molecular Weight (g/mol): 199.271 MDL Number: MFCD00005015 InChI Key: WJFKNYWRSNBZNX-UHFFFAOYSA-N Synonym: agrazine, dibenzo-1,4-thiazine, dibenzothiazine, feeno, penthazine, phenosan, phenothiazine, phenthiazine, souframine, thiodiphenylamine PubChem CID: 7108 ChEBI: CHEBI:37931 IUPAC Name: 10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2

Alfa Aesar™ Cefotaxime sodium salt, 50mg/mL in distilled water, sterile-filtered

CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.442 MDL Number: MFCD00079073 InChI Key: AZZMGZXNTDTSME-LOSLGVLSSA-M PubChem CID: 88631411 IUPAC Name: sodium;(6S,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

Alfa Aesar™ Cefsulodin sodium salt hydrate, 97%

CAS: 1426397-23-0 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 MDL Number: MFCD07793338 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]

Alfa Aesar™ Ceftazidime pentahydrate, 95%

CAS: 78439-06-2 Molecular Formula: C22H32N6O12S2 Molecular Weight (g/mol): 636.648 MDL Number: MFCD00153936 InChI Key: NMVPEQXCMGEDNH-TZVUEUGBSA-N PubChem CID: 131673973 ChEBI: CHEBI:3509 IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(6R,7R)-2-carboxy-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate;pentahydrate SMILES: CC(C)(C(=O)[O-])ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O.O.O.O.O.O

4-Methoxybenzyl 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate 98.0+%, TCI America™

CAS: 104146-10-3 Molecular Formula: C24H23ClN2O5S Molecular Weight (g/mol): 486.967 MDL Number: MFCD00191253 InChI Key: KFCMZNUGNLCSJQ-GWQXNCQPSA-N Synonym: 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester PubChem CID: 13822075 IUPAC Name: (4-methoxyphenyl)methyl (6R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)CCl

Benzoyl Leuco Methylene Blue 96.0+%, TCI America™

CAS: 1249-97-4 Molecular Formula: C23H23N3OS Molecular Weight (g/mol): 389.517 MDL Number: MFCD00059153 InChI Key: ZKURGBYDCVNWKH-UHFFFAOYSA-N PubChem CID: 94975 IUPAC Name: [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone SMILES: CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4

2-Chlorophenothiazine 98.0+%, TCI America™

CAS: 92-39-7 Molecular Formula: C12H8ClNS Molecular Weight (g/mol): 233.713 MDL Number: MFCD00005016 InChI Key: KFZGLJSYQXZIGP-UHFFFAOYSA-N Synonym: 10h-phenothiazine, 2-chloro, 2-chloro-phenothiazine, 2-chloropheno-thiazine, 2-chlorophenothiazine, 2-chlorophenothizine, 2-chlorothiodiphenylamine, acmc-209rfl, dsstox_cid_31643, phenothiazine, 2-chloro, wln: t c666 bm isj eg PubChem CID: 7088 IUPAC Name: 2-chloro-10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl

Phenothiazine, 99%, ACROS Organics™

CAS: 92-84-2 Molecular Formula: C12H9NS Molecular Weight (g/mol): 199.28 MDL Number: MFCD00005015 InChI Key: WJFKNYWRSNBZNX-UHFFFAOYSA-N Synonym: agrazine, dibenzo-1,4-thiazine, dibenzothiazine, feeno, penthazine, phenosan, phenothiazine, phenthiazine, souframine, thiodiphenylamine PubChem CID: 7108 ChEBI: CHEBI:37931 IUPAC Name: 10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2

Cephradine Monohydrate 96.0+%, TCI America™

CAS: 75975-70-1 Molecular Formula: C16H21N3O5S Molecular Weight (g/mol): 367.42 MDL Number: MFCD00865048 InChI Key: VHNPSPMQGXQSET-CYJZLJNKSA-N PubChem CID: 21124775 IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.O

Cefadroxil, 95-105%, ACROS Organics™

CAS: 66592-87-8 Molecular Formula: C16H17N3O5S Molecular Weight (g/mol): 363.39 InChI Key: BOEGTKLJZSQCCD-UEKVPHQBSA-N Synonym: cefadroxil, cefadroxil anhydrous, cefadroxilo, cefadroxilum, cefadroxilum inn-latin, cephadroxil, d-cefadroxil, duricef, ultracef, unii-q525pa8jjb PubChem CID: 47965 ChEBI: CHEBI:3479 IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O

Alfa Aesar™ Cefsulodin sodium salt, 50mg/mL in distilled water, sterile-filtered

CAS: 52152-93-9 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 MDL Number: MFCD07793338 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]

2-(Trifluoromethyl)phenothiazine 98.0+%, TCI America™

CAS: 92-30-8 Molecular Formula: C13H8F3NS Molecular Weight (g/mol): 267.269 MDL Number: MFCD00005018 InChI Key: RKGYJVASTMCSHZ-UHFFFAOYSA-N Synonym: 10h-phenothiazine, 2-trifluoromethyl, 2-triflouomethyl phenothiazine, 2-trifluoromethyl phenothiazine, 2-trifluoromethyl-10h-phenothiazine, 2-trifluoromethyl-phenothiazine, 2-trifluoromethylphenothiazine, 4-27-00-01352 beilstein handbook reference, acmc-209rf8, phenothiazine, 2-trifluoromethyl, trifluoromethylphenothiazine PubChem CID: 7082 IUPAC Name: 2-(trifluoromethyl)-10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F

Alfa Aesar™ Cephalexin, 50mg/mL in 1M ammonium hydroxide, sterile-filtered

CAS: 15686-71-2 Molecular Formula: C16H20ClN3O5S Molecular Weight (g/mol): 401.862 MDL Number: MFCD00167148 InChI Key: YHJDZIQOCSDIQU-OEDJVVDHSA-N PubChem CID: 57515946 IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride;hydrate SMILES: [H+].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.[Cl-]

Alfa Aesar™ Cefotiam dihydrochloride

CAS: 66309-69-1 Molecular Formula: C18H27Cl2N9O5S3 Molecular Weight (g/mol): 616.552 MDL Number: MFCD09878605 InChI Key: KHUCCKUOJMXYKH-BUWDDJPCSA-N PubChem CID: 70590037 IUPAC Name: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate;dihydrochloride SMILES: CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.O.Cl.Cl

Phenothiazine 98.0+%, TCI America™

CAS: 92-84-2 Molecular Formula: C12H9NS Molecular Weight (g/mol): 199.271 MDL Number: MFCD00005015 InChI Key: WJFKNYWRSNBZNX-UHFFFAOYSA-N Synonym: agrazine, dibenzo-1,4-thiazine, dibenzothiazine, feeno, penthazine, phenosan, phenothiazine, phenthiazine, souframine, thiodiphenylamine PubChem CID: 7108 ChEBI: CHEBI:37931 IUPAC Name: 10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2

Cefixime, 98%, ACROS Organics™

CAS: 79350-37-1 Molecular Formula: C16H15N5O7S2 Molecular Weight (g/mol): 453.45 InChI Key: OKBVVJOGVLARMR-QSWIMTSFSA-N Synonym: cefixim, cefixima, cefixime, cefiximum, cefiximum latin, cefixoral, cefspan, cephoral, necopen, suprax PubChem CID: 5362065 ChEBI: CHEBI:472657 IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O

Alfa Aesar™ 2-(Trifluoromethyl)phenothiazine, 98%

CAS: 92-30-8 Molecular Formula: C13H8F3NS Molecular Weight (g/mol): 267.269 MDL Number: MFCD00005018 InChI Key: RKGYJVASTMCSHZ-UHFFFAOYSA-N Synonym: 10h-phenothiazine, 2-trifluoromethyl, 2-triflouomethyl phenothiazine, 2-trifluoromethyl phenothiazine, 2-trifluoromethyl-10h-phenothiazine, 2-trifluoromethyl-phenothiazine, 2-trifluoromethylphenothiazine, 4-27-00-01352 beilstein handbook reference, acmc-209rf8, phenothiazine, 2-trifluoromethyl, trifluoromethylphenothiazine PubChem CID: 7082 IUPAC Name: 2-(trifluoromethyl)-10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F

Ceftazidime pentahydrate, 98%, ACROS Organics™

CAS: 78439-06-2 Molecular Formula: C22H22N6O7S2·5H2O Molecular Weight (g/mol): 636.65 InChI Key: NMVPEQXCMGEDNH-TZVUEUGBSA-N PubChem CID: 131673973 ChEBI: CHEBI:3509 IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(6R,7R)-2-carboxy-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate;pentahydrate SMILES: CC(C)(C(=O)[O-])ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O.O.O.O.O.O

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