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Cefamandole nafate
CAS: 42540-40-9 Molecular Formula: C19H17N6NaO6S2 Molecular Weight (g/mol): 512.491 MDL Number: MFCD00864877 InChI Key: ICZOIXFFVKYXOM-YCLOEFEOSA-M PubChem CID: 23665731 ChEBI: CHEBI:3481 IUPAC Name: sodium;(6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+]
PubChem CID | 23665731 |
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CAS | 42540-40-9 |
Molecular Weight (g/mol) | 512.491 |
ChEBI | CHEBI:3481 |
MDL Number | MFCD00864877 |
SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+] |
IUPAC Name | sodium;(6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
InChI Key | ICZOIXFFVKYXOM-YCLOEFEOSA-M |
Molecular Formula | C19H17N6NaO6S2 |
Ceftiofur sodium, 95%
CAS: 104010-37-9 Molecular Formula: C19H16N5NaO7S3 Molecular Weight (g/mol): 545.53 MDL Number: MFCD01766184 InChI Key: RFLHUYUQCKHUKS-JUODUXDSSA-M PubChem CID: 131632581 IUPAC Name: sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-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(CSC(=O)C3=CC=CO3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
PubChem CID | 131632581 |
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CAS | 104010-37-9 |
Molecular Weight (g/mol) | 545.53 |
MDL Number | MFCD01766184 |
SMILES | [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)C3=CC=CO3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1 |
IUPAC Name | sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
InChI Key | RFLHUYUQCKHUKS-JUODUXDSSA-M |
Molecular Formula | C19H16N5NaO7S3 |
Thermo Scientific Chemicals Neomycin sulfate, 50 mg/ml in distilled water, sterile-filtered
CAS: 1405-10-3 Molecular Formula: C23H48N6O17S Molecular Weight (g/mol): 712.72 MDL Number: MFCD29905465 InChI Key: OIXVKQDWLFHVGR-DJUBFIBWNA-N PubChem CID: 124080932 IUPAC Name: 5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol; sulfuric acid SMILES: OS(O)(=O)=O.NCC1OC(O[C@@H]2[C@@H](CO)O[C@@H](OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O
PubChem CID | 124080932 |
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CAS | 1405-10-3 |
Molecular Weight (g/mol) | 712.72 |
MDL Number | MFCD29905465 |
SMILES | OS(O)(=O)=O.NCC1OC(O[C@@H]2[C@@H](CO)O[C@@H](OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O |
IUPAC Name | 5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol; sulfuric acid |
InChI Key | OIXVKQDWLFHVGR-DJUBFIBWNA-N |
Molecular Formula | C23H48N6O17S |
Thermo Scientific Chemicals 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
PubChem CID | 441199 |
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CAS | 35607-66-0 |
Molecular Weight (g/mol) | 427.446 |
ChEBI | CHEBI:209807 |
MDL Number | MFCD00072014 |
SMILES | COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 |
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 |
InChI Key | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |
Molecular Formula | C16H17N3O7S2 |
Cephalothin sodium salt, 50mg/mL in distilled water, sterile-filtered, Thermo Scientific™
CAS: 58-71-9 Molecular Formula: C16H15N2NaO6S2 Molecular Weight (g/mol): 418.414 MDL Number: MFCD00072025 InChI Key: VUFGUVLLDPOSBC-XRZFDKQNSA-M PubChem CID: 23675321 ChEBI: CHEBI:3542 IUPAC Name: sodium;(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]
PubChem CID | 23675321 |
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CAS | 58-71-9 |
Molecular Weight (g/mol) | 418.414 |
ChEBI | CHEBI:3542 |
MDL Number | MFCD00072025 |
SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+] |
IUPAC Name | sodium;(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
InChI Key | VUFGUVLLDPOSBC-XRZFDKQNSA-M |
Molecular Formula | C16H15N2NaO6S2 |
Miconazole nitrate, 10 mg/mL in ethanol, sterile-filtered, Thermo Scientific™
CAS: 22832-87-7 Molecular Formula: C18H15Cl4N3O4 Molecular Weight (g/mol): 479.14 MDL Number: MFCD00058161 InChI Key: MCCACAIVAXEFAL-UHFFFAOYNA-N PubChem CID: 68553 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
PubChem CID | 68553 |
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CAS | 22832-87-7 |
Molecular Weight (g/mol) | 479.14 |
MDL Number | MFCD00058161 |
SMILES | O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid |
InChI Key | MCCACAIVAXEFAL-UHFFFAOYNA-N |
Molecular Formula | C18H15Cl4N3O4 |
Actinomycin D (1 mg/ml, DMSO)
CAS: 50-76-0 Molecular Formula: C62H86N12O16 Molecular Weight (g/mol): 1255.438 MDL Number: MFCD00005033 InChI Key: RJURFGZVJUQBHK-HUZQGMAJSA-N Synonym: Dactinomycin; Actinomycin C1 PubChem CID: 131954673 IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4, SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
PubChem CID | 131954673 |
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CAS | 50-76-0 |
Molecular Weight (g/mol) | 1255.438 |
MDL Number | MFCD00005033 |
SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C |
Synonym | Dactinomycin; Actinomycin C1 |
IUPAC Name | 2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3R,6S,7R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4, |
InChI Key | RJURFGZVJUQBHK-HUZQGMAJSA-N |
Molecular Formula | C62H86N12O16 |
Ceftriaxone disodium salt, 50 mg/ml in distilled water, Thermo Scientific Chemicals
CAS: 104376-79-6 Molecular Formula: C36H46N16Na4O21S6 Molecular Weight (g/mol): 1323.17 MDL Number: MFCD01750405,MFCD01750405,MFCD09749665 InChI Key: RGDBKADCOSIOEV-MAODNAKNSA-J PubChem CID: 131843450 IUPAC Name: tetrasodium 3-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-1-ide (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate SMILES: O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1.CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C([O-])=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
PubChem CID | 131843450 |
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CAS | 104376-79-6 |
Molecular Weight (g/mol) | 1323.17 |
MDL Number | MFCD01750405,MFCD01750405,MFCD09749665 |
SMILES | O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1.CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C([O-])=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1 |
IUPAC Name | tetrasodium 3-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-1-ide (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate |
InChI Key | RGDBKADCOSIOEV-MAODNAKNSA-J |
Molecular Formula | C36H46N16Na4O21S6 |
Doxycycline hydrochloride
CAS: 10592-13-9 Molecular Formula: C22H25ClN2O8 Molecular Weight (g/mol): 480.90 MDL Number: MFCD03427564 InChI Key: VLUQVUWDECWBTL-UQVCFKGQSA-N PubChem CID: 54706018 IUPAC Name: (1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium chloride SMILES: [Cl-].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H]([NH+](C)C)C(=O)\C(=C(/N)O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12
PubChem CID | 54706018 |
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CAS | 10592-13-9 |
Molecular Weight (g/mol) | 480.90 |
MDL Number | MFCD03427564 |
SMILES | [Cl-].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H]([NH+](C)C)C(=O)\C(=C(/N)O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12 |
IUPAC Name | (1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium chloride |
InChI Key | VLUQVUWDECWBTL-UQVCFKGQSA-N |
Molecular Formula | C22H25ClN2O8 |
Tobramycin sulfate
CAS: 79645-27-5 Molecular Formula: C18H39N5O13S Molecular Weight (g/mol): 565.59 MDL Number: MFCD00133864,MFCD00133864 InChI Key: ZEUUPKVZFKBXPW-UHFFFAOYNA-N PubChem CID: 54413 IUPAC Name: 4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid SMILES: OS(O)(=O)=O.NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O
PubChem CID | 54413 |
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CAS | 79645-27-5 |
Molecular Weight (g/mol) | 565.59 |
MDL Number | MFCD00133864,MFCD00133864 |
SMILES | OS(O)(=O)=O.NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O |
IUPAC Name | 4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid |
InChI Key | ZEUUPKVZFKBXPW-UHFFFAOYNA-N |
Molecular Formula | C18H39N5O13S |
Cyproconazole
CAS: 94361-06-5 Molecular Formula: C15H18ClN3O Molecular Weight (g/mol): 291.779 MDL Number: MFCD01678672 InChI Key: UFNOUKDBUJZYDE-UHFFFAOYSA-N PubChem CID: 86132 ChEBI: CHEBI:83748 IUPAC Name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol SMILES: CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
PubChem CID | 86132 |
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CAS | 94361-06-5 |
Molecular Weight (g/mol) | 291.779 |
ChEBI | CHEBI:83748 |
MDL Number | MFCD01678672 |
SMILES | CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O |
IUPAC Name | 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol |
InChI Key | UFNOUKDBUJZYDE-UHFFFAOYSA-N |
Molecular Formula | C15H18ClN3O |
Leptomycin B, 98%, 1mM soln. in ethanol, Thermo Scientific Chemicals
CAS: 87081-35-4 Molecular Formula: C33H48O6 Molecular Weight (g/mol): 540.741 MDL Number: MFCD06795848 InChI Key: YACHGFWEQXFSBS-BVPMNVLFSA-N PubChem CID: 121232734 IUPAC Name: (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2R,3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid SMILES: CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C
PubChem CID | 121232734 |
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CAS | 87081-35-4 |
Molecular Weight (g/mol) | 540.741 |
MDL Number | MFCD06795848 |
SMILES | CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C |
IUPAC Name | (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2R,3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid |
InChI Key | YACHGFWEQXFSBS-BVPMNVLFSA-N |
Molecular Formula | C33H48O6 |