PRODUCT NAME | CAS Registry Number |
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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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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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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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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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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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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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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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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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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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(2 suppliers)
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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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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(10 suppliers)
IUPAC Name: 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid | CAS Registry Number: 17622-86-5
Synonyms: Nervogenic acid, 4-Hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzoic acid, AC1NSZ3S, CHEMBL500669, MolPort-035-706-130, ZINC14444484, AKOS027276419, AK241791, W2000, 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid, Benzoic acid,4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)-
Molecular Formula: | C17H22O3 | Molecular Weight: | 274.360 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: LSVOBJIOONAGLU-UHFFFAOYSA-N
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IUPAC Name: [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate | CAS Registry Number: 53947-82-3
Synonyms: Fertidin, Ferutidin, Jaeschkeanadiol anisate, CHEMBL465265, NP-013181
Molecular Formula: | C23H32O4 | Molecular Weight: | 372.505 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: PLWGJLHNBNMJOH-PABCKOPISA-N
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IUPAC Name: 2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 4818-59-1
Synonyms: Isofurosemide, Isolasix, Iso Furosemide, UNII-V2ZF54Q4LZ, SureCN12418659, H 20, FT-0670460, 2-Chloro-4-(furfurylamino)-5-sulfamoylbenzoic Acid, 5-(Aminosulfonyl)-2-chloro-4-[(2-furanylmethyl)amino]benzoic Acid
Molecular Formula: | C12H11ClN2O5S | Molecular Weight: | 330.744140 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: UXOOVYKVEXGCSH-UHFFFAOYSA-N
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IUPAC Name: methyl 5-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,3,4-trihydroxybenzoate | CAS Registry Number: 104900-67-6
Synonyms: Dictyoceratin B
Molecular Formula: | C23H32O5 | Molecular Weight: | 388.504 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 5 |
InChIKey: MFMAXXNRMUAGPE-VITDHJIUSA-N
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IUPAC Name: trisodium;5-[2-[4-[[3-[(3-carboxy-4-oxidophenyl)sulfonylamino]benzoyl]amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate | CAS Registry Number: 6358-55-0
Synonyms: 5-[[[3-[[[4-[ azo]-3-sulfophenyl]amino]carbonyl]phenyl]amino]sulfonyl]-2-hydroxybenzoicacidtrisodiumsalt
Molecular Formula: | C30H20N5Na3O13S3 | Molecular Weight: | 823.669808 [g/mol] | H-Bond Donor: | 6 | H-Bond Acceptor: | 17 |
InChIKey: YJAHXSXJCAINAB-UHFFFAOYSA-K
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IUPAC Name: 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid | CAS Registry Number: 108605-69-2
Synonyms: Avenanthramide B, Avenanthramide 1, Avenanthramide BF, Avenanthramide 2F, Benzoic acid, 5-hydroxy-2-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)amino)-, Benzoic acid, 5-hydroxy-2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]-, SureCN4671925, UNII-F8BQ5730IL, BEN803
Molecular Formula: | C17H15NO6 | Molecular Weight: | 329.304100 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 6 |
InChIKey: JXFZHMCSCYADIX-XVNBXDOJSA-N
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