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Thiazines

Organosulfur heterocyclic compound that consists of a six-membered ring with four carbon atoms, one nitrogen atom, one sulfur atom, and two double bonds.
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1

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]

EDGE
PubChem CID 124203950
CAS 52152-93-9
Molecular Weight (g/mol) 556.54
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]
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
InChI Key GTZPOHRNWUTXNB-DWBVFMGKSA-O
Molecular Formula C22H21N4NaO8S2+
2

Cefotaxime Sodium Salt 96.0+%, TCI America™

CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.44 MDL Number: MFCD00079073 InChI Key: AZZMGZXNTDTSME-JUZDKLSSSA-M Synonym: cefotaxime sodium,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,cefoperazone sodium salt u.s.p.,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,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 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 PubChem CID: 88631411 IUPAC Name: sodium (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-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 SMILES: [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1

PubChem CID 88631411
CAS 64485-93-4
Molecular Weight (g/mol) 477.44
MDL Number MFCD00079073
SMILES [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
Synonym cefotaxime sodium,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,cefoperazone sodium salt u.s.p.,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,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 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
IUPAC Name sodium (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-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
InChI Key AZZMGZXNTDTSME-JUZDKLSSSA-M
Molecular Formula C16H16N5NaO7S2
3

Cefsulodin Sodium Salt Hydrate 95.0+%, TCI America™

CAS: 1426397-23-0 Molecular Formula: C22H19N4NaO8S2 Molecular Weight (g/mol): 554.52 MDL Number: MFCD07793338 InChI Key: REACMANCWHKJSM-VKYHOSCXNA-M PubChem CID: 131674802 IUPAC Name: sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-(2-phenyl-2-sulfonatoacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium SMILES: [Na+].[H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O

PubChem CID 131674802
CAS 1426397-23-0
Molecular Weight (g/mol) 554.52
MDL Number MFCD07793338
SMILES [Na+].[H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O
IUPAC Name sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-(2-phenyl-2-sulfonatoacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
InChI Key REACMANCWHKJSM-VKYHOSCXNA-M
Molecular Formula C22H19N4NaO8S2
4

Cephalothin 98.0+%, TCI America™

CAS: 153-61-7 Molecular Formula: C16H15N2NaO6S2 Molecular Weight (g/mol): 418.41 MDL Number: MFCD00242614 InChI Key: VUFGUVLLDPOSBC-XRZFDKQNSA-M Synonym: Cephalotin, 7-(2-Thienylacetamido)cephalosporanic Acid PubChem CID: 6024 ChEBI: CHEBI:124991 IUPAC Name: sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: [Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=CC=CS1)C2=O)C([O-])=O

PubChem CID 6024
CAS 153-61-7
Molecular Weight (g/mol) 418.41
ChEBI CHEBI:124991
MDL Number MFCD00242614
SMILES [Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=CC=CS1)C2=O)C([O-])=O
Synonym Cephalotin, 7-(2-Thienylacetamido)cephalosporanic Acid
IUPAC Name sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI Key VUFGUVLLDPOSBC-XRZFDKQNSA-M
Molecular Formula C16H15N2NaO6S2
5

Ceftizoxime, Thermo Scientific Chemicals

CAS: 68401-81-0 Molecular Formula: C13H13N5O5S2 Molecular Weight (g/mol): 383.40 MDL Number: MFCD00072000 InChI Key: NNULBSISHYWZJU-LLKWHZGFSA-N IUPAC Name: sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O

CAS 68401-81-0
Molecular Weight (g/mol) 383.40
MDL Number MFCD00072000
SMILES [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
IUPAC Name sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI Key NNULBSISHYWZJU-LLKWHZGFSA-N
Molecular Formula C13H13N5O5S2