Hippuric acids and derivatives

Folinic acid, calcium salt pentahydrate, 95.0-105.0%, ACROS Organics™

CAS: 6035-45-6 Molecular Formula: C20H21CaN7O7·5H2O Molecular Weight (g/mol): 601.58 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]

Alfa Aesar™ Methotrexate disodium salt, 98.5%

CAS: 7413-34-5 Molecular Formula: C20H20N8Na2O5 Molecular Weight (g/mol): 498.411 MDL Number: MFCD00274560 InChI Key: DASQOOZCTWOQPA-GXKRWWSZSA-L Synonym: methotrexate disodium salt, sodium methotrexate, ledertrexate, methotrexate sodium, mtx disodium, methotrexate disodium, unii-3ig1e710zn, trexall, mexate, methotrexate lpf PubChem CID: 11329481 ChEBI: CHEBI:50679 IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Hippuric Acid 98%, ACROS Organics™

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.17 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: benzamidoacetic acid PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)O

Sodium hippurate, 96%, Alfa Aesar™

CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]

4-Aminohippuric acid, 99%, ACROS Organics™

CAS: 61-78-9 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

Alfa Aesar™ N-alpha-Benzoyl-L-arginine p-nitroanilide hydrochloride

CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: 2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Aminopterin Hydrate 97.0+%, TCI America™

CAS: 54-62-6 Molecular Formula: C19H20N8O5 Molecular Weight (g/mol): 440.42 MDL Number: MFCD00036692 InChI Key: TVZGACDUOSZQKY-LBPRGKRZSA-N Synonym: 4-Aminofolic Acid, 4-Amino-PGA, 4-Aminopteroyl-L-glutamic Acid PubChem CID: 169371 ChEBI: CHEBI:22526 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

N-α-Benzoyl-L-Arginine p-Nitroanilide Hydrochloride, MP Biomedicals™

CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: 2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

BMS CCR2 22, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 445479-97-0 Molecular Formula: C28H34F3N5O4S Molecular Weight (g/mol): 593.666 InChI Key: IBPXYDUJQWENPM-PKTZIBPZSA-N Synonym: 2-3-isopropylureido-n-2-cis-2-4-methylthio benzamido cyclohexyl amino-2-oxoethyl-5-trifluoromethyl benzamide PubChem CID: 57350027 IUPAC Name: N-[2-[[(1R,2S)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide SMILES: CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)SC

AC 55541, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 916170-19-9 Molecular Formula: C25H20BrN5O3 Molecular Weight (g/mol): 518.371 InChI Key: UCUHFWIFSHROPY-RWPZCVJISA-N Synonym: 2e-2-1-3-bromophenyl ethylidene ?-benzoylamino-3,4-dihydro-4-oxo-1-phthalazineacetic acid hydrazide PubChem CID: 9589606 IUPAC Name: N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide SMILES: CC(=NNC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br

Hippuric Acid 98.0+%, TCI America™

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: benzamidoacetic acid PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)O

Sivelestat sodium salt, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 150374-95-1 Molecular Formula: C20H21N2NaO7S Molecular Weight (g/mol): 456.445 InChI Key: ZAIFANJZUGNYCK-UHFFFAOYSA-M Synonym: c20h21n2o7s.na PubChem CID: 23664980 IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]

N-α-Benzoyl-DL-arginine-4-nitroanilide hydrochloride, 98%, ACROS Organics™

CAS: 911-77-3 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00012846 InChI Key: DEOKFPFLXFNAON-UHFFFAOYSA-N Synonym: 5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride PubChem CID: 2724371 IUPAC Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Alfa Aesar™ N-alpha-Benzoyl-L-arginine ethyl ester hydrochloride, 98+%

CAS: 2645-08-1 Molecular Formula: C15H23ClN4O3 Molecular Weight (g/mol): 342.82 MDL Number: MFCD00012579 InChI Key: HIXDELXKSSLIKB-UHFFFAOYNA-N Synonym: baee PubChem CID: 2723604 IUPAC Name: ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride SMILES: CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl

L(+)-Amethopterin hydrate, 99%, ACROS Organics™

CAS: 133073-73-1 Molecular Formula: C20H22N8O5·xH2O Molecular Weight (g/mol): 454.44 MDL Number: MFCD00150847 InChI Key: TXQDMGIRZSHAQM-GXKRWWSZSA-N Synonym: 2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O.O

Alfa Aesar™ Ethyl hippurate, 98%

CAS: 1499-53-2 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 MDL Number: MFCD00026890 InChI Key: PTXRQIPIELXJFH-UHFFFAOYSA-N Synonym: acmc-1buir PubChem CID: 226558 IUPAC Name: ethyl 2-benzamidoacetate SMILES: CCOC(=O)CNC(=O)C1=CC=CC=C1

N-Methylhippuric acid, 99%, ACROS Organics™

CAS: 2568-34-5 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.2 MDL Number: MFCD00144940 InChI Key: PKCSYDDSNIJRIX-UHFFFAOYSA-N Synonym: 2-benzoyl methyl amino acetic acid PubChem CID: 75728 IUPAC Name: 2-[benzoyl(methyl)amino]acetic acid SMILES: CN(CC(=O)O)C(=O)C1=CC=CC=C1

Alfa Aesar™ Folic acid dihydrate, 97%

CAS: 75708-92-8 Molecular Formula: C19H23N7O8 Molecular Weight (g/mol): 477.434 MDL Number: MFCD00079305 InChI Key: ODYNNYOEHBJUQP-LTCKWSDVSA-N Synonym: 0s1t5c0jzl PubChem CID: 16211651 IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O.O

Alfa Aesar™ N-Benzoyl-L-alanine, 95%

CAS: 2198-64-3 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00063128 InChI Key: UAQVHNZEONHPQG-ZETCQYMHSA-N Synonym: 2-benzoylamino-propionic acid PubChem CID: 709778 ChEBI: CHEBI:71166 IUPAC Name: (2S)-2-benzamidopropanoic acid SMILES: CC(C(=O)O)NC(=O)C1=CC=CC=C1

Alfa Aesar™ Nalpha-Benzoyl-L-ornithine, 98%

CAS: 17966-71-1 Molecular Formula: C12H16N2O3 Molecular Weight (g/mol): 236.271 MDL Number: MFCD00153452 InChI Key: PKONOCQSEOHHJW-JTQLQIEISA-N Synonym: 2s-5-amino-2-phenylformamido pentanoic acid PubChem CID: 7016391 IUPAC Name: (2S)-5-amino-2-benzamidopentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN)C(=O)O

Alfa Aesar™ Sodium 4-aminohippurate hydrate, 98%

CAS: 94-16-6 Molecular Formula: C9H10N2NaO3+ Molecular Weight (g/mol): 217.18 MDL Number: MFCD00150723 InChI Key: UNZMYCAEMNVPHX-UHFFFAOYSA-N Synonym: aminohippurate sodium PubChem CID: 57465078 IUPAC Name: sodium;2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N.[Na+]

Alfa Aesar™ 4-Methylhippuric acid, 98%

CAS: 27115-50-0 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00020449 InChI Key: NRSCPTLHWVWLLH-UHFFFAOYSA-N Synonym: 2-4-methylbenzamido acetic acid PubChem CID: 97479 ChEBI: CHEBI:68552 IUPAC Name: 2-[(4-methylbenzoyl)amino]acetic acid SMILES: CC1=CC=C(C=C1)C(=O)NCC(=O)O

Alfa Aesar™ Hippuric acid, 98%

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: benzamidoacetic acid PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)O

N-α-Benzoyl-L-arginine 4-nitroanilide hydrochloride, 98%, Acros Organics™

CAS: 21653-40-7 Molecular Formula: C19H22N6O4·HCl Molecular Weight (g/mol): 434.88 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: 2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Alfa Aesar™ N-alpha-Benzoyl-L-arginine, 99%

CAS: 154-92-7 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.312 MDL Number: MFCD00001763 InChI Key: RSYYQCDERUOEFI-JTQLQIEISA-N Synonym: 2s-5-carbamimidamido-2-phenylformamido pentanoic acid PubChem CID: 97369 IUPAC Name: (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

2-Hydroxyhippuric acid, 97%, ACROS Organics™

CAS: 487-54-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00002695 InChI Key: ONJSZLXSECQROL-UHFFFAOYSA-N Synonym: 2-2-hydroxybenzamido acetic acid PubChem CID: 10253 ChEBI: CHEBI:9008 IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)O

Alfa Aesar™ Diethyl benzamidomalonate, 98+%

CAS: 16798-45-1 Molecular Formula: C14H17NO5 Molecular Weight (g/mol): 279.292 MDL Number: MFCD00015160 InChI Key: NMSZTQWZINJIMY-UHFFFAOYSA-N Synonym: 1,3-diethyl 2-phenylformamido propanedioate PubChem CID: 66790 IUPAC Name: diethyl 2-benzamidopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1

DL-N-Benzoyl-2-methylserine, 98%, ACROS Organics™

CAS: 7508-82-9 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.23 MDL Number: MFCD01863306 InChI Key: FVWQRKJTTRAXJP-NSHDSACASA-N Synonym: 2s-2-benzamido-3-hydroxy-2-methylpropanoic acid PubChem CID: 7167581 IUPAC Name: (2S)-2-benzamido-3-hydroxy-2-methylpropanoic acid SMILES: CC(CO)(C(=O)O)NC(=O)C1=CC=CC=C1

2-Iodohippuric Acid 99.0+%, TCI America™

CAS: 147-58-0 Molecular Formula: C9H8INO3 Molecular Weight (g/mol): 305.071 MDL Number: MFCD00002694 InChI Key: CORFWQGVBFFZHF-UHFFFAOYSA-N Synonym: N-(2-Iodobenzoyl)glycine PubChem CID: 8614 IUPAC Name: 2-[(2-iodobenzoyl)amino]acetic acid SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)I

4-Aminohippuric Acid 99.0+%, TCI America™

CAS: 61-78-9 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

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