PRODUCT NAME | CAS Registry Number |
(5 suppliers)
IUPAC Name: 2,6-difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid | CAS Registry Number: 321995-62-4
Synonyms: CHEMBL107054, AGN-194078, SCHEMBL5968004, BCKLKOYFMACAMZ-UHFFFAOYSA-N, BDBM50120063, HY-100273, CS-0018425, 2,6-difluoro-4-[(3-hydroxy-5,5,8,8,-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid, 2,6-difluoro-4-[(3-hydroxy-5,5,8,8,-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl) -amino]-benzoic acid, 2,6-Difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid
Molecular Formula: | C22H23F2NO4 | Molecular Weight: | 403.426 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: BCKLKOYFMACAMZ-UHFFFAOYSA-N
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(2 suppliers)
IUPAC Name: 2,6-difluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid | CAS Registry Number: 191469-29-1
Synonyms: CHEMBL106527, BDBM50120064, AGN-193931, CS-3203, HY-16684, 2,6-Difluoro-4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid
Molecular Formula: | C22H23F2NO3 | Molecular Weight: | 387.419726 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: WTKJHVPWANEVRO-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: 4-[[3-bromo-4-ethoxy-5-(4-methylbenzoyl)benzoyl]amino]benzoic acid | CAS Registry Number: 958295-17-5
Synonyms: SCHEMBL4195281, AKOS027384138, ZINC144555112, CS-3201, AK402583, HY-16682, 4-(3-Bromo-4-ethoxy-5-(4-methylbenzoyl)benzamido)benzoic acid
Molecular Formula: | C24H20BrNO5 | Molecular Weight: | 482.330 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: BUGXGZOGQGUTBC-UHFFFAOYSA-N
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(1 supplier) | |
(5 suppliers)
IUPAC Name: 4-[(E,3E)-3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-hydroxyiminoprop-1-enyl]benzoic acid | CAS Registry Number: 859498-05-8
Synonyms: SCHEMBL3900887, CS-3202, HY-16683
Molecular Formula: | C29H27NO3 | Molecular Weight: | 437.539 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: AUKGBKLQWDXBEP-FSLFYVJCSA-N
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(4 suppliers)
IUPAC Name: 5-[[(2R)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid | CAS Registry Number: 910562-15-1
Synonyms: SIMENEPAG, AGN-210676, Simenepag (USAN/INN), Simenepag [USAN:INN], SureCN1398341, UNII-V0LI771S16, CHEMBL2103859, D09962, 2-Thiophenecarboxylic acid, 5-((((2R)-1-(4-((1S)-1-hydroxyhexyl)phenyl)-5-oxo-2- pyrrolidinyl)methoxy)methyl)-, 5-((((2R)-1-(4-((1S)-1-Hydroxyhexyl)phenyl)-5-oxopyrrolidin-2-yl)methoxy)methyl) thiophene-2-carboxylic acid
Molecular Formula: | C23H29NO5S | Molecular Weight: | 431.545060 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: NGKFLYGSJDSBQC-QUCCMNQESA-N
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(3 suppliers)
IUPAC Name: 3-[3-(dimethylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione | CAS Registry Number: 53873-21-5
Synonyms: Agn 2979, Agn-2979, C19H28N2O3, CID40914, SC 48274, SC-48274, LS-115213, 2,6-Piperidinedione, 3-(3-(dimethylamino)propyl)-3-(3-methoxyphenyl)-4,4-dimethyl-, 3-(3-Methoxyphenyl)-3-(3-dimethylaminopropyl)-4,4-dimethylpiperidine-2,6-dione
Molecular Formula: | C19H28N2O3 | Molecular Weight: | 332.437220 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: UJFNSGBGJMRZKS-UHFFFAOYSA-N
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(0 suppliers)
IUPAC Name: 5-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-ylmethyl)-1H-imidazole | CAS Registry Number: 226571-05-7
Synonyms: 1H-Imidazole, 5-((1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl)-, SCHEMBL1340305, SCHEMBL13483292, 4-(2,3,4,5,6,7,8-Heptahydronaphthalen-2-ylmethyl)-1H-imidazole, 5-(1,2,3,4,5,6,7,8-octahydronaphthalen-2-ylmethyl)-1H-imidazole
Molecular Formula: | C14H20N2 | Molecular Weight: | 216.320 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: MXJKNSWRBCTLNU-UHFFFAOYSA-N
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(1 supplier)
Synonyms: AGN-PC-000NM8, NSC331265, NSC-331265
Molecular Formula: | C23H22BrNO4 | Molecular Weight: | 456.329080 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: JPPVMGPLGHZQQM-UHFFFAOYSA-M
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(1 supplier)
Synonyms: AGN-PC-000TKZ, NSC742552, NSC-742552, 9H-Dibenzo[c,2,4-triazolo[4,3-a]azepin-9-one, 3-methyl-
Molecular Formula: | C16H11N3O | Molecular Weight: | 261.278040 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: PDULDPFXLCAIRD-UHFFFAOYSA-N
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(1 supplier)
Synonyms: AGN-PC-000US5, NSC137857, NSC-137857
Molecular Formula: | C9H17BrN4O2 | Molecular Weight: | 293.160880 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 6 |
InChIKey: MSUMXIQCWLQHRM-UHFFFAOYSA-M
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(1 supplier)
Molecular Formula: | C14H22O4 | Molecular Weight: | 254.322080 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: ALBFSBSHWPNRND-UHFFFAOYSA-N
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(1 supplier)
Molecular Formula: | C20H30O3 | Molecular Weight: | 318.450400 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: HHLVVSUTGBWSQY-UHFFFAOYSA-N
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(1 supplier)
Synonyms: NGJJCCOIYXTGHI-UHFFFAOYSA-M, NSC35721, NSC-35721, 1-(2-Oxo-2-phenylethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane bromide
Molecular Formula: | C14H19BrN4O | Molecular Weight: | 339.230860 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: NGJJCCOIYXTGHI-UHFFFAOYSA-M
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(5 suppliers)
Synonyms: Paspalin P, Paspalin P II, Kodocytochalasin 2, Cytochalasin j, (11)Cytochalasa-6(12),13,19-trien-1-one, 7,18,21-trihydroxy-16,18-dimethyl-10-phenyl-, 7,18,21-Trihydroxy-16,18-dimethyl-10-phenyl-(11)cytochalasa-6(12),13,19-trien-1-one, LS-59116
Molecular Formula: | C28H37NO4 | Molecular Weight: | 451.597680 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 4 |
InChIKey: UKQNIEMKORIOQM-GRIAELCMSA-N
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(2 suppliers)
Synonyms: AGN-PC-00Q2NU, (5aS,6aS,6bS,9S,9aS,11S,11aS,11bR)-9a,11b-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2'-[1,3]dioxolan]-11-ol
Molecular Formula: | C25H38O6 | Molecular Weight: | 434.565620 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: PSKFLZFMMLBNMX-UHFFFAOYSA-N
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(2 suppliers)
Synonyms: 5L-921, 1-[2-(3-nitrophenyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane bromide, NSC402870, AKOS005095446, NSC-402870, 1-(2-(3-Nitrophenyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1[3,7])decane bromide
Molecular Formula: | C14H18BrN5O3 | Molecular Weight: | 384.228420 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: QRPBKLYQXBOMED-UHFFFAOYSA-M
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(1 supplier)
Synonyms: 7K-901, 1-[2-(2-naphthyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane bromide, AGN-PC-00YUJT, NSC36400, NSC-36400, AKOS005098162, 1-[2-(napthalen-2-yl)-2-oxoethyl]-3,7-triaza-1-azoniatricyclo[3.3.1.1(sup 3,7)]decane bromide
Molecular Formula: | C18H21BrN4O | Molecular Weight: | 389.289540 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: DCWVSARDKULYIT-UHFFFAOYSA-M
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(6 suppliers)
IUPAC Name: methyl 2-(chloromethyl)pyridine-4-carboxylate;hydrochloride | CAS Registry Number: 125398-17-6
Synonyms: SCHEMBL9364851, AKOS027439923, AK499369, FT-0697481, Methyl 2-(chloromethyl)isonicotinate hydrochloride
Molecular Formula: | C8H9Cl2NO2 | Molecular Weight: | 222.065 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: ICQYKDMSIZPRPH-UHFFFAOYSA-N
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(6 suppliers)
Synonyms: 2-BOC-7-FORMYL-1,2,3,4-TETRAHYDROPYRROLO[3,2,1-JK][1,4]BENZODIAZEPINE, AGN-PC-0CZBSZ, SCHEMBL3050326, PB16946, Q-3603
Molecular Formula: | C17H20N2O3 | Molecular Weight: | 300.352300 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: IHAMMAUFIMTOTF-UHFFFAOYSA-N
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(4 suppliers)
IUPAC Name: ethyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate | CAS Registry Number: 740813-36-9
Synonyms: CE-842, Ethyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate
Molecular Formula: | C7H6Br3NO2 | Molecular Weight: | 375.840040 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: MREWYORDFNMAAM-UHFFFAOYSA-N
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(4 suppliers)
IUPAC Name: tert-butyl 2-amino-3-phenylmethoxypropanoate;hydrochloride | CAS Registry Number: 93760-41-9
Synonyms: L-Ser(Bzl)-OtBu.HCl, FT-0699239
Molecular Formula: | C14H22ClNO3 | Molecular Weight: | 287.784 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: KRZCQGUIELEOOC-UHFFFAOYSA-N
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(27 suppliers)
IUPAC Name: [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate | CAS Registry Number: 11027-63-7
Synonyms: MEGxp0_000767, ACon1_000039, CID442416, NCGC00168851-01, C09765, BRD-K25132901-001-01-5
Molecular Formula: | C22H26O11 | Molecular Weight: | 466.435240 [g/mol] | H-Bond Donor: | 6 | H-Bond Acceptor: | 11 |
InChIKey: GLACGTLACKLUJX-QNAXTHAFSA-N
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(1 supplier) | |
(55 suppliers)
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 138112-76-2
Synonyms: Valdoxan, Thymanax, Agomelatine [INN], Valdoxan (TN), Agomelatine (INN), AGO-178, AGO178, C15H17NO2, AGO 178, CID82148, PDSP1_001305, PDSP1_001784, PDSP2_001289, PDSP2_001767, LS-9830, S20098, N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide, N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide, S 20098, S-20098
Molecular Formula: | C15H17NO2 | Molecular Weight: | 243.300980 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride | CAS Registry Number: 1176316-99-6
Synonyms: Agomelatine hydrochloride, S-20098 hydrochloride, SCHEMBL1289524, HY-17038A, CS-1779
Molecular Formula: | C15H18ClNO2 | Molecular Weight: | 279.761920 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 2 |
InChIKey: ZJVMEXOLMFNQPX-UHFFFAOYSA-N
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(2 suppliers) | |
(1 supplier) | |
(10 suppliers)
IUPAC Name: N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 1385018-58-5
Synonyms: SCHEMBL3161875, MFCD27996051, AKOS027250748, ZINC147747018, N,N-Bis(2-(7-methoxynaphthalen-1-yl)ethyl)acetamide
Molecular Formula: | C28H29NO3 | Molecular Weight: | 427.544 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: FHMJYCOMJMSPND-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: 1,3-bis[2-(7-methoxynaphthalen-1-yl)ethyl]urea | CAS Registry Number: 185421-27-6
Synonyms: Agomelatine Dimer Urea, Agomelatine Impurity II
Molecular Formula: | C27H28N2O3 | Molecular Weight: | 428.532 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: XXLOKCBHVVICPZ-UHFFFAOYSA-N
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(3 suppliers) | |
(6 suppliers)
IUPAC Name: N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 1352139-51-5
Synonyms: N-(2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl)acetamide, SCHEMBL1289437
Molecular Formula: | C15H19NO2 | Molecular Weight: | 245.322 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: VYQNQWIPOKLVHL-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: N-[2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide | CAS Registry Number: 178677-39-9
Synonyms: (E)-N-(2-(7-methoxy-3,4-dihydronaphthalen-1(2h)-ylidene)ethyl)acetamide
Molecular Formula: | C15H19NO2 | Molecular Weight: | 245.322 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: WYDPNFMLFHAFHV-UHFFFAOYSA-N
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(3 suppliers)
IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 1079389-44-8
Synonyms: SCHEMBL14005814
Molecular Formula: | C15H17NO2 | Molecular Weight: | 247.320 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: YJYPHIXNFHFHND-LZMSFWOYSA-N
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(6 suppliers)
IUPAC Name: 2,2,2-trideuterio-N-[2-[7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide | CAS Registry Number: 1079389-42-6
Synonyms: Agomelatine D6, SCHEMBL3148106
Molecular Formula: | C15H17NO2 | Molecular Weight: | 249.343 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: YJYPHIXNFHFHND-WFGJKAKNSA-N
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(2 suppliers)
IUPAC Name: 6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid | CAS Registry Number: 445298-41-9
Synonyms: 2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-benzoic acid, 4-carboxy-3-hydroxy-2-methyl-5-[(1E)-1-methyl-1-propen-1-yl]phenyl ester, CHEMBL454589, 6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid, 4-({2,4-dihydroxy-3-methyl-6-[(1E)-1-methylprop-1-en-1-yl]benzoyl}oxy)-2-hydroxy-3-methyl-6-[(1E)-1-methylprop-1-en-1-yl]benzoic acid, benzoic acid, 4-[[2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]benzoyl]oxy]-2-hydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]-
Molecular Formula: | C24H26O7 | Molecular Weight: | 426.500 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 7 |
InChIKey: LFTHRDXERPBJOF-MKICQXMISA-N
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