Organoheterocyclic compounds
Irinotecan hydrochloride trihydrate
CAS: 136572-09-3 Molecular Formula: HCl·3H2O Molecular Weight (g/mol): 677.18 InChI Key: KLEAIHJJLUAXIQ-JDRGBKBRSA-N Synonym: irinotecan hydrochloride trihydrate,irinotecan hcl trihydrate,cpt 11,unii-042laq1iis,campto,irinotecan hcl,042laq1iis,onivyde,cpt-11 PubChem CID: 60837 SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl
5-Nitro-2-furaldehyde, 99%
CAS: 698-63-5 Molecular Formula: C5H3NO4 MDL Number: MFCD00003230 InChI Key: SXINBFXPADXIEY-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro PubChem CID: 12774 ChEBI: CHEBI:34459 IUPAC Name: 5-nitrofuran-2-carbaldehyde
1-Methyladenine, 95%, Thermo Scientific Chemicals
CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Thermo Scientific Chemicals Melatonine, 99%
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.28 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Acyclovir 98.0+%, TCI America™
CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1
2-Fluoropyridine, 99%
CAS: 372-48-5 Molecular Formula: C5H4FN Molecular Weight (g/mol): 97.092 MDL Number: MFCD00006224 InChI Key: MTAODLNXWYIKSO-UHFFFAOYSA-N Synonym: pyridine, 2-fluoro,o-fluoropyridine,2-fluoro-pyridine,pyridine, fluoro,ccris 1725,2-fluoranylpyridine,fluoropyridine,2fluoropyridine,2-fluorpyridin,2-fluoro-pyridinium PubChem CID: 9746 IUPAC Name: 2-fluoropyridine SMILES: C1=CC=NC(=C1)F
4-Nitropyridine N-oxide, 97%
CAS: 1124-33-0 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.10 MDL Number: MFCD00006206 InChI Key: RXKNNAKAVAHBNK-UHFFFAOYSA-N Synonym: 4-nitropyridine n-oxide,4-nitropyridine 1-oxide,4-nitropyridine-n-oxide,4-nitropyridine-1-oxide,pyridine, 4-nitro-, 1-oxide,4-nitropyridin-1-ium-1-olate,p-nitropyridine n-oxide,4-nitropyridine oxide,4-nitro-n-oxopyridine,4-nitro-1-oxido-pyridin-1-ium PubChem CID: 14300 SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C=C1
Sodium Dichloroisocyanurate 97.0+%, TCI America™
CAS: 2893-78-9 Molecular Formula: C3HCl2N3NaO3 Molecular Weight (g/mol): 220.949 MDL Number: MFCD00006036 InChI Key: UNWRHVZXVVTASG-UHFFFAOYSA-N Synonym: sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt PubChem CID: 86657659 IUPAC Name: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium SMILES: C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]
Sulfur trioxide-pyridine complex, 98%, active SO3 ca 48-50%
CAS: 26412-87-3 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00012437 InChI Key: UDYFLDICVHJSOY-UHFFFAOYSA-N Synonym: pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide PubChem CID: 168533 SMILES: O=S(=O)=O.C1=CC=NC=C1
2-Vinylpyridine, 97%, stabilized
CAS: 100-69-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006355 InChI Key: KGIGUEBEKRSTEW-UHFFFAOYSA-N Synonym: 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 PubChem CID: 7521 IUPAC Name: 2-ethenylpyridine SMILES: C=CC1=CC=CC=N1
3-Aminophthalhydrazide, 98%, pure
CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00006890 InChI Key: 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-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Vitamin B12 95.0+%, TCI America™
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Papaverine Hydrochloride 99.0+%, TCI America™
CAS: 61-25-6 Molecular Formula: C20H22ClNO4 Molecular Weight (g/mol): 375.849 MDL Number: MFCD00012745 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Phenazopyridine hydrochloride, 99%, analytical standard
CAS: 136-40-3 Molecular Formula: C11H11N5·ClH Molecular Weight (g/mol): 249.7 InChI Key: QQBPIHBUCMDKFG-UHFFFAOYSA-N Synonym: phenazopyridine hydrochloride,phenazopyridine hcl,urodine,pyridium,pyripyridium,bisteril,diridone,mallophene,phenazodine,pyrazodine PubChem CID: 8691 ChEBI: CHEBI:71419 IUPAC Name: 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride SMILES: C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl