Organoheterozyklische Verbindungen
Pipemidic Acid Trihydrate, TRC
CAS: 72571-82-5 Summenformel: C14 H17 N5 O3 . 3 H2 O Molekulargewicht (g/mol): 357.36 Synonym: Pipemidic Acid Trihydrate,8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrate (1:3),8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate,Pipemidic acid trihydrate IUPAC-Name: 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;trihydrate SMILES: O.O.O.CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3
Mangafodipir Trisodium (>85%), TRC
CAS: 140678-14-4 Summenformel: C22 H27 Mn N4 O14 P2 . 3 Na Molekulargewicht (g/mol): 757.32 Synonym: Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, sodium hydrogen (1:3:3), (OC-6-13)-,Manganate(6-), [[N,N'-1,2-ethanediylbis[N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato]](8-)]-, trisodium trihydrogen, (OC-6-13)-,Manganate(6-), [[rel-[N(R),N'(R)]-N,N'-1,2-ethanediylbis[N-[[3-(hydroxy-κO)-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]glycinato-κN,κO]](8-)]-, trisodium trihydrogen, (OC-6-13)- (9CI),Mangafodipir trisodium,MnDPDP,S 095,Teslascan,Win 59010 SMILES: [Na+].[Na+].[Na+].Cc1ncc(COP(=O)(O)O)c2CN34CCN56CC(=O)[O-][Mn+2]35([O-]C(=O)C4)([O-]c12)[O-]c7c(C)ncc(COP(=O)(O)[O-])c7C6
Meropenem Trihydrate, TRC
CAS: 119478-56-7 Summenformel: C17 H25 N3 O5 S . 3 H2 O Molekulargewicht (g/mol): 437.51 Synonym: Meropenem trihydrate,(4R,5S,6S)-3-[[(3S,5S)-5-[(Dimethylamino)carbonyl]pyrrolidin-3-yl]sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate,1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, hydrate (1:3), (4R,5S,6S)- (ACI),1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, trihydrate, (4R,5S,6S)- (9CI),1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, trihydrate, [4R-[3(3S*,5S*),4α,5β,6β(R*)]]- (ZCI),(4R,5S,6S)-3-[[(3S,5S)-5-[(Dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:3) IUPAC-Name: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trihydrate SMILES: O.O.O.C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)N(C)C
Ampicillin Trihydrate, TRC
CAS: 7177-48-2 Summenformel: C16 H19 N3 O4 S . 3 H2 O Molekulargewicht (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 Trihydrate, TRC
CAS: 61336-70-7 Summenformel: C16 H19 N3 O5 S . 3 H2 O Molekulargewicht (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
3-Aminophthalhydrazid, 98 %, Thermo Scientific Chemicals
CAS: 521-31-3 Summenformel: C8H7N3O2 Molekulargewicht (g/mol): 177.163 MDL-Nummer: MFCD00006890 InChI-Schlüssel: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC-Name: 5-Amino-2,3-Dihydrophthalazin-1,4-Dion SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Enoxacin Sesquihydrate, TRC
CAS: 84294-96-2 Summenformel: 2 C15 H17 F N4 O3 . 3 H2 O Molekulargewicht (g/mol): 694.68 Synonym: 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-Naphthyridine-3-carboxylic Acid Hydrate (2:3),Enoxacin Sesquihydrate,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrate (2:3) (9CI, ACI) IUPAC-Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate SMILES: O.O.O.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3.CCN4C=C(C(=O)O)C(=O)c5cc(F)c(nc45)N6CCNCC6
Atorvastatin Calcium Salt Trihydrate, TRC
CAS: 344423-98-9 Summenformel: 2 C33 H34 F N2 O5 . Ca . 3 H2 O Molekulargewicht (g/mol): 1209.39 Synonym: Atorvastatin calcium trihydrate,Calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate trihydrate,1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt, hydrate (2:1:3), (βR,δR)-,1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), trihydrate, (βR,δR)- (9CI),Atorvastatin hemicalcium sesquihydrate,Atorvastatin hemicalcium trihydrate IUPAC-Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate SMILES: O.O.O.[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccccc7)c(c8ccc(F)cc8)n5CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
1-Butyl-3-methylimidazolium Hexafluorphosphat, ≥ 98 %, Thermo Scientific Chemicals
CAS: 174501-64-5 Summenformel: C8H15F6N2P Molekulargewicht (g/mol): 284.19 MDL-Nummer: MFCD03093295 InChI-Schlüssel: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazin-4,4″-disulfonsäure Mononatriumsalz Hydrat, 97 %, Thermo Scientific Chemicals
CAS: 1266615-85-3 Summenformel: C20H15N4NaO7S2 Molekulargewicht (g/mol): 510.471 MDL-Nummer: MFCD00150794 InChI-Schlüssel: MBOKSYFCYXIJRZ-UHFFFAOYSA-M Synonym: ferrozine mono-sodium salt hydrate,pdt disulfonate monosodium salt hydrate,5,6-diphenyl-3-2-pyridyl-1,2,4-triazine-4,4-disulfonic acid monosodium salt hydrate,3-2-pyridyl-5,6-diphenyl-1,2,4-triazine-p,p inverted exclamation marka-disulfonic acid monosodium salt hydrate,3-2-pyridyl-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid monosodium salt hydrate,sodium 4-3-pyridin-2-yl-6-4-sulfophenyl-1,2,4-triazin-5-yl benzenesulfonate hydrate PubChem CID: 71311205 IUPAC-Name: Natrium;4-[3-Pyridin-2-yl-6-(4-Sulfophenyl)-1,2,4-Triazin-5-yl]Benzylsulfonat;Hydrat SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-].O.[Na+]
3-Brommethyl-3-oxetanmethanol, 95 %, Thermo Scientific Chemicals
CAS: 22633-44-9 Summenformel: C5H9BrO2 Molekulargewicht (g/mol): 181.03 MDL-Nummer: MFCD09800598 InChI-Schlüssel: SESXZSLSTRITGO-UHFFFAOYSA-N PubChem CID: 529264 IUPAC-Name: [3-(Brommethyl)Oxetan-3-yl]Methanol SMILES: OCC1(CBr)COC1
3-Thien-3-ylanilin, ≥ 97 %, Thermo Scientific™
CAS: 161886-96-0 Summenformel: C10H9NS Molekulargewicht (g/mol): 175.25 MDL-Nummer: MFCD06740169 InChI-Schlüssel: SHUODWYRFVFGOA-UHFFFAOYSA-N Synonym: 3-thien-3-ylaniline,3-thiophen-3-yl aniline,3-3-aminophenyl thiophene,3-thiophen-3-yl-phenylamine,3-3-thienyl aniline,3-3-thienyl phenylamine,3-thiophen-3-ylphenylamine,benzenamine,3-3-thienyl,3-thiophen-3-yl benzenamine,benzenamine, 3-3-thienyl PubChem CID: 4130337 SMILES: NC1=CC=CC(=C1)C1=CSC=C1
3-Pyridin-3-ylanilin, 97 %, Thermo Scientific™
CAS: 57976-57-5 Summenformel: C11H10N2 Molekulargewicht (g/mol): 170.215 InChI-Schlüssel: YTJQJGKMRLQBJP-UHFFFAOYSA-N Synonym: 3-pyridin-3-yl benzenamine,3-pyridin-3-yl aniline,3-3-aminophenyl pyridine,3-3-pyridyl aniline,benzenamine, 3-3-pyridinyl,3-3-pyridinyl aniline,3-pyridin-3-yl anilin,3-3-pyridyl phenylamine,3-pyridine-3-yl aniline,3-pyridin-3-yl-phenylamine PubChem CID: 459521 IUPAC-Name: 3-Pyridin-3-ylanilin SMILES: C1=CC(=CC(=C1)N)C2=CN=CC=C2
3-Thiophencarboxylsäure, 99 %, Thermo Scientific Chemicals
CAS: 88-13-1 Summenformel: C5H4O2S Molekulargewicht (g/mol): 128.15 MDL-Nummer: MFCD00005467 InChI-Schlüssel: YNVOMSDITJMNET-UHFFFAOYSA-N Synonym: 3-thiophenecarboxylic acid,3-thenoic acid,3-thiophenezoic acid,beta-thiophenic acid,3-thienylcarboxylic acid,3-thiophene carboxylic acid,3-carboxythiophene,beta-thiophenecarboxylic acid,3-thiophenoic acid,unii-6v3012q6be PubChem CID: 6918 IUPAC-Name: Thiophen-3-Carbonsäure SMILES: C1=CSC=C1C(=O)O
3-Bromcarbazol, 98%, Thermo Scientific Chemicals
CAS: 1592-95-6 Summenformel: C12H8BrN Molekulargewicht (g/mol): 246.107 MDL-Nummer: MFCD00222621 InChI-Schlüssel: LTBWKAYPXIIVPC-UHFFFAOYSA-N Synonym: 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc PubChem CID: 252446 IUPAC-Name: 3-Brom-9H-Carbazol SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br