| PRODUCT NAME | CAS Registry Number |
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IUPAC Name: [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid | CAS Registry Number: 114568-32-0
Synonyms: Patamostat mesylate, Patamostat mesilate, E-3123, AC1OCEWP, Patomostat mesilate (JAN), UNII-4697U796PV, D09841, [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonic acid, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-((2-(2,5-dioxo-1-pyrrolidinyl)ethyl)thio)phenyl ester, monomethanesulfonate
| Molecular Formula: | C21H24N4O7S2 | Molecular Weight: | 508.567860 [g/mol] | | H-Bond Donor: | 3 | H-Bond Acceptor: | 9 |
InChIKey: HTSFLDCSCNSKJW-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: 4-(phenylcarbamoyl)benzoic acid | CAS Registry Number: 16777-78-9
Synonyms: 4-(phenylcarbamoyl)benzoic Acid, T5797060, N-Phenyl-terephthalamic acid, CHEMBL69366, SCHEMBL3659389, MolPort-005-384-576, KM3767, AKOS008084681, MCULE-6637559509
| Molecular Formula: | C14H11NO3 | Molecular Weight: | 241.242040 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: LNCHBBZGCITQPQ-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: 4-[(2R)-3,3-dimethyl-1-[[(1R)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid | CAS Registry Number: 156728-19-7
Synonyms: L-684249
| Molecular Formula: | C24H28N2O5 | Molecular Weight: | 424.497 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: UYCGRJINXTYRQR-DENIHFKCSA-N
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(2 suppliers)
IUPAC Name: ethyl 4-(cyclohexylcarbamoylsulfamoyl)benzoate | CAS Registry Number: 10518-84-0
| Molecular Formula: | C16H22N2O5S | Molecular Weight: | 354.421 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: AMUSRXHNWVKKKE-UHFFFAOYSA-N
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(1 supplier)
Synonyms: TD-550
| Molecular Formula: | C29H31NO4 | Molecular Weight: | 457.570 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: CBBTWNUHTLPCAD-UHFFFAOYSA-N
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(1 supplier)
Synonyms: Clemochinenoside A
| Molecular Formula: | C30H36O18 | Molecular Weight: | 684.600 [g/mol] | | H-Bond Donor: | 6 | H-Bond Acceptor: | 18 |
InChIKey: NEVMWOQJRSZYIC-UUANRDTJSA-N
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(1 supplier)
IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithian-2-yl]benzoic acid | CAS Registry Number: 146670-36-2
Synonyms: CHEMBL113864, SCHEMBL5894384, BDBM50033075, SR-11203, 4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dithian-2-yl]-benzoic acid
| Molecular Formula: | C25H30O2S2 | Molecular Weight: | 426.633 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: CXCXPZCHVMTIJF-UHFFFAOYSA-N
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(2 suppliers)
IUPAC Name: 4-[2-[[2-(3,5-dimethylpiperidin-1-yl)pyridine-3-carbonyl]amino]ethyl]-2-methoxybenzoic acid | CAS Registry Number: 88709-28-8
Synonyms: SCHEMBL11016602
| Molecular Formula: | C23H29N3O4 | Molecular Weight: | 411.502 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: DJBVQWUJTVDFSF-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: 4-[5-[[(1R)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]benzoic acid | CAS Registry Number: 115439-17-3
Synonyms: Pycmanilline
| Molecular Formula: | C38H40N2O9 | Molecular Weight: | 668.743 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 10 |
InChIKey: LSNPTUSTNLAHAN-MUUNZHRXSA-N
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(2 suppliers)
IUPAC Name: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate | CAS Registry Number: 55414-57-8
Synonyms: Aba-571, AC1L57U7, Ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate, SCHEMBL11616564, NSPDFNKTKFZSHA-UHFFFAOYSA-N, 2-Amino-3-bromo-5-carbethoxy-N,N-diethyl-benzylamine, 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine
| Molecular Formula: | C14H21BrN2O2 | Molecular Weight: | 329.238 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: NSPDFNKTKFZSHA-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: 2-(3-hydroxypiperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate | CAS Registry Number: 172679-55-9
Synonyms: CHEBI:361100, SR-59768, 2-((3S)-3-hydroxypiperidino)ethyl 4-amino-5-chloro-2-methoxybenzoate, 4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-hydroxy-piperidin-1-yl)-ethyl ester, Benzoic acid, 4-amino-5-chloro-2-methoxy-, 2-((3S)-3-hydroxy-1- piperidinyl)ethyl ester
| Molecular Formula: | C15H21ClN2O4 | Molecular Weight: | 328.791240 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: ZXMWHBBPOHFOLA-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: [(3R,4S)-4-[7-(4-bromobenzoyl)oxy-5-hydroxy-2-methyl-4-oxochromen-8-yl]-1-methylpiperidin-3-yl] 4-bromobenzoate | CAS Registry Number: 114216-90-9
Synonyms: Tubastraine
| Molecular Formula: | C30H25Br2NO7 | Molecular Weight: | 671.338 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 8 |
InChIKey: QZBWWFYXXYZAMM-BWKNWUBXSA-N
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(2 suppliers)
IUPAC Name: 2-(diethylamino)ethyl 4-butoxybenzoate | CAS Registry Number: 3772-43-8
Synonyms: UNII-89M880K35B, 2-diethylaminoethyl 4-butoxybenzoate, AC1L28VO, SCHEMBL25553, 89M880K35B, KB-303342, benzoic acid,4-butoxy-,2-(diethylamino)ethyl ester
| Molecular Formula: | C17H27NO3 | Molecular Weight: | 293.401180 [g/mol] | | H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: QNIUOGIMJWORNZ-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate | CAS Registry Number: 102995-99-3
Synonyms: CID175920, Benzoic acid, 4-chloro-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, 1-methylethyl ester, Propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
| Molecular Formula: | C16H18ClN5O6S | Molecular Weight: | 443.862020 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 9 |
InChIKey: NDIMSSNVYYPECZ-UHFFFAOYSA-N
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IUPAC Name: [(5R,5aS,6S,9aR)-6,9a-bis(acetyloxymethyl)-6-methyl-3-oxo-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] 4-hydroxybenzoate | CAS Registry Number: 78834-89-6
Synonyms: Astellolide B
| Molecular Formula: | C26H30O9 | Molecular Weight: | 486.517 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 9 |
InChIKey: GRCAUCWQLNJYKG-GETZNYBYSA-N
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(1 supplier)
IUPAC Name: (6-hydroxy-1a,6-dimethyl-3-propan-2-yl-1b,2,3,4,5,6a,7,7a-octahydroazuleno[1,2-b]oxiren-4-yl) 4-hydroxybenzoate | CAS Registry Number: 66559-24-8
Synonyms: Tenuferidin, AGN-PC-001A0P, (6-hydroxy-1a,6-dimethyl-3-propan-2-yl-1b,2,3,4,5,6a,7,7a-octahydroazuleno[1,2-b]oxiren-4-yl) 4-hydroxybenzoate, Benzoic acid, 4-hydroxy-, decahydro-6-hydroxy-1a,6-dimethyl-3-(1-methylethyl)azuleno(1,2-b)oxiren-4-yl ester
| Molecular Formula: | C22H30O5 | Molecular Weight: | 374.470600 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: LFGRJALZHUSPNM-UHFFFAOYSA-N
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