Lactams
N-Methylcaprolactam, 96%
CAS: 2556-73-2 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.187 MDL Number: MFCD00003263 InChI Key: ZWXPDGCFMMFNRW-UHFFFAOYSA-N Synonym: n-methylcaprolactam,1-methylcaprolactam,n-methyl-.epsilon.-caprolactam,2h-azepin-2-one, hexahydro-1-methyl,n-methyl-e-caprolactam,epsilon-caprolactam, n-methyl,2h-azepin-2-one, hexahydro-n-methyl,hexahydro-n-methyl-2h-azepin-2-one,n-methyl-epsilon-caprolactam,n-methyl caprolactam PubChem CID: 17369 IUPAC Name: 1-methylazepan-2-one SMILES: CN1CCCCCC1=O
N-Vinyl-epsilon-caprolactam, 99%
CAS: 2235-00-9 Molecular Formula: C8H13NO Molecular Weight (g/mol): 139.198 MDL Number: MFCD00080693 InChI Key: JWYVGKFDLWWQJX-UHFFFAOYSA-N Synonym: n-vinylcaprolactam,1-vinylazepan-2-one,n-vinyl-epsilon-caprolactam,2h-azepin-2-one, 1-ethenylhexahydro,unii-kfc10cy9up,1-vinylhexahydro-2h-azepin-2-one,1-ethenylhexahydro-2h-azepin-2-one,kfc10cy9up,1-vinylazaperhydroepin-2-one,poly-n-vinylcaprolactam PubChem CID: 75227 IUPAC Name: 1-ethenylazepan-2-one SMILES: C=CN1CCCCCC1=O
Brucine
CAS: 357-57-3 Molecular Formula: C23H26N2O4 Molecular Weight (g/mol): 394.471 MDL Number: MFCD00005942 InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N Synonym: brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy PubChem CID: 51413923 IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
epsilon-Caprolactam, 99%
CAS: 105-60-2 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006936 InChI Key: JBKVHLHDHHXQEQ-UHFFFAOYSA-N Synonym: epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam PubChem CID: 7768 ChEBI: CHEBI:28579 IUPAC Name: azepan-2-one SMILES: C1CCC(=O)NCC1
Brucine sulfate hydrate, 98% (dry wt.), water <13%
CAS: 652154-10-4 Molecular Formula: C46H54N4O12S Molecular Weight (g/mol): 887.01 MDL Number: MFCD00013472 InChI Key: HCMSIGALSOEZRW-MDQLRNFDSA-N Synonym: brucine sulfate salt PubChem CID: 118797651 IUPAC Name: 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;hydrate SMILES: OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1
N-Acetylcaprolactam, 99%
CAS: 1888-91-1 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.20 MDL Number: MFCD00003262 InChI Key: QISSLHPKTCLLDL-UHFFFAOYSA-N Synonym: n-acetylcaprolactam,acetylcaprolactam,n-acetyl-6-caprolactam,2h-azepin-2-one, 1-acetylhexahydro,acetylkaprolaktam,n-acetylhexanelactam,acetylkaprolaktam czech,1-acetylhexahydro-2h-azepin-2-one,n-acetyl-epsilon-caprolactam,n-acetyl-.epsilon.-caprolactam PubChem CID: 15904 IUPAC Name: 1-acetylazepan-2-one SMILES: CC(=O)N1CCCCCC1=O
Ampicillin Trihydrate, TRC
CAS: 7177-48-2 Molecular Formula: C16 H19 N3 O4 S . 3 H2 O Molecular Weight (g/mol): 403.45 IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate SMILES: O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
Amoxicillin, TRC
CAS: 26787-78-0 Molecular Formula: C16 H19 N3 O5 S Molecular Weight (g/mol): 365.4 Synonym: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-,4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-, D- (8CI),4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- (9CI),4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-,(2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[D(-)-α-Amino-p-hydroxyphenylacetamido]penicillanic acid,6-[D-(-)-2-Amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[D-(-)-p-Hydroxy-α-aminobenzyl]penicillin,6-[D-α-Amino-α-(4-hydroxyphenyl)acetamido]penicillanic acid,A-Gram,AM 73,Abdimox,Acimox,Actimoxi,Adbiotin,Agerpen,Alfamox,Almodan,Alphamox,Amagesen Solutab,Amcill,Amo-flamsian,Amocilline,Amoclen,Amodex,Amoflux,Amolin,Amopen,Amopenixin,Amoram,Amosine,Amox,Amoxa,Amoxal,Amoxapen,Amoxaren,Amoxcillin,Amoxi,Amoxi-Mast,Amoxi-basan,Amoxibiotic,Amoxicilina,Amoxicillin,Amoxicillin Chewable Tablets,Amoxidal,Amoxiden,Amoxidin,Amoxihexal,Amoxil,Amoxillin,Amoxin,Amoxipen,Amoxipenil,Amoxisol,Amoxivan,Amoxivet,Amoxtrex,Amoxy,Amoxy-diolan,Amoxycillin,Amoxypen,Ampidroxyl,Ampy-Penyl,Anemol,Anemolin,Apitart,Apo-Amoxi,Ardine,Ardine (pharmaceutical),Aspenil,Audumic,Azillin,BLP 1410,BRL 2333,Bactamox,Bactox,Betamox,Bimox,Bintamox,Biomox,Bioxidona,Bioxyllin,Blumox,Bridopen,Bristamox,Cabermox,Cemoxin,Cilamox,Clamox,Clamoxyl,Coamoxin,Comoxyl,D-(-)-α-Amino-p-hydroxybenzyl penicillin,D-(α-Amino-p-hydroxybenzyl)penicillin,D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid,D-Amoxicillin,Damoxicil,Delacillin,Draximox,Efpenix,Efpinex,Eupen,Eupensol,Excillin,Farconcil,Fisamox,Flemoxin,Foxolin,Fullcilina,Gemox,Gimalxina,Gomcillin,Gramidil,Grinsil,Grinsul,Grunamox,Helvamox,Hiconcil,Hidramox,Hipen,Histocillin,Hosboral,Ibiamox,Ikamoxil,Imacillin,Imaxilin,Imox,Imoxil,Intermox,Isimoxin,Izoltil,Jerramcil,Kamoxin,Lamoxy,Larocilin,Larotid,Limox,Majorpen,Matasedrin,Maxcil,Medimox,Meixil,Metafarma capsules,Metifarma capsules,Mopen,Morgenxil,Mox,Moxacin,Moxaline,Moxarin,Moxcil,Moxilen,Moxlin,Moxylin,Moxypen,Moxyvit,NSC 277174,Novabritine,Novamox,Novamoxin,Novenzymin,Optium,Ospamox,Pamocil,Pamoxicillin,Pasetocin,Penamox,Penbiosyn,Penimox,Pensyn,Piramox,Polymox,Posmox,Protexillin,Rancil,Ranmoxy,Ranoxyl,Reloxyl,Rhamoxilina,Robamox,Rocillin,Ronemox,Saltermox,Samosillin,Samthongcillin,Sawacillin,Sawamezin,Senox,Sia-mox,Sigmopen,Sil-A-mox,Simoxil,Simplamox,Specillin,Sumox,Superpeni,Suprapen,Suramox,Suramox 50,Suramox PM,Teramoxyl,Tolodina,Triafamox,Triamoxil,Trilaxin,Trimox,Twicyl,Unicillin,Utimox,Velamox,Vetomoxin,Vetramox,Virgoxillin,Widecillin,Winmox,Wymox,Yisulon,Zamocillin,Zamox,Zamoxil,Zerrsox,Zimox,p-Hydroxyampicillin IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
Imipenem, Monohydrate, TRC
CAS: 74431-23-5 Molecular Formula: C12 H17 N3 O4 S . H2 O Molecular Weight (g/mol): 317.36 Synonym: Imipenem monohydrate,(5R,6S)-6-[(R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate,1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, hydrate (1:1),1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, monohydrate, [5R-[5α,6α(R*)]]-,1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, monohydrate, (5R,6S)- (9CI),Imipenem monohydrate,N-Formimidoyl thienamycin monohydrate IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(2-methanimidamidoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate SMILES: O.C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N
Cefotetan, TRC
CAS: 69712-56-7 Molecular Formula: C17 H17 N7 O8 S4 Molecular Weight (g/mol): 575.62 Synonym: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-(6α,7α)]-,1,3-Dithietane, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.,Apacef,Cefotetan IUPAC Name: (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C
Amoxicillin Trihydrate, TRC
CAS: 61336-70-7 Molecular Formula: C16 H19 N3 O5 S . 3 H2 O Molecular Weight (g/mol): 419.45 Synonym: (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate,4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, hydrate (1:3), (2S,5R,6R)-,4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)- (9CI),4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2α,5α,6β(S*)]]-,Alfoxil,Amoksina,Amotaks Dis,Amoxicillin trihydrate,Amoxycillin trihydrate,Amoxykel,Amoxyl,Atoksilin,Damoxy,Demoksil,Largopen,Moksilin,Promoxil,Remoxil,Topramoxin IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate SMILES: O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
Cephaloglycin, TRC
CAS: 3577-01-3 Molecular Formula: C18 H19 N3 O6 S Molecular Weight (g/mol): 405.43 Synonym: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-, (6R,7R)-,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-, [6R-[6α,7β(R*)]]-,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-, (6R,7R)- (9CI),5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D- (8CI),(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-(2-D-α-Aminophenylacetamido)cephalosporanic acid,Cefaloglycin,Cefaloglycine,Cephaloglycin,Cephaloglycine,D-(-)-Cephaloglycin,D-Cephaloglycine,Kafocin,Kefglycin,Lilly 39435; IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O
Nitrocefin (>90%), TRC
CAS: 41906-86-9 Molecular Formula: C21 H16 N4 O8 S2 Molecular Weight (g/mol): 516.5 Synonym: (6R,7R)-3-[(1E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,[6R-[3(E),6α,7β]]-3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; IUPAC Name: (6R,7R)-7-[[(E)-4-(2,4-dinitrophenyl)-2-thiophen-2-ylbut-3-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: OC(=O)C1=CCS[C@@H]2[C@H](NC(=O)C(\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4cccs4)C(=O)N12
Ceftibuten Hydrate, TRC
CAS: 118081-37-1 Molecular Formula: C15 H14 N4 O6 S2 . H2O Molecular Weight (g/mol): 410.4 Synonym: [6R-[6α,7β(Z)]]-7-[[2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Hydrate IUPAC Name: (6R,7R)-7-[[(E)-2-(2-aminothiazol-5-yl)-4-carboxy-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate SMILES: O.Nc1ncc(s1)\C(=C\CC(=O)O)\C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O)O
Cephalosporin C Zinc Salt, TRC
CAS: 59143-60-1 Molecular Formula: C16 H19 N3 O8 S Zn Molecular Weight (g/mol): 478.81 Synonym: (6R,7R)-3-[(Acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Zinc Salt,, [6R-[6α,7β(R*)]]-3-[(Acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Zinc Salt IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C2N3[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(=O)O[Zn]OC2=O)C3=O