PRODUCT NAME | CAS Registry Number |
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Synonyms: Aflatoxin Q2a, AFQ2a, CID128981, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-3,8-dihydroxy-4-methoxy-
Molecular Formula: | C17H14O8 | Molecular Weight: | 346.288260 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: KBYQSILWZURMPY-UHFFFAOYSA-N
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(9 suppliers)
Synonyms: Aflatoxin Ro, Aflatoxin R0, AFLATOXICOL, Aflatoxicol natural epimer, CCRIS 11, EINECS 249-727-7, CID104744, LS-7180, (1S-(1alpha,6abeta,9abeta))-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, AFL, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1S,6aR,9aS)-, (1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one, (1R,6aS,9aS)-1-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one
Molecular Formula: | C17H14O6 | Molecular Weight: | 314.289460 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: WYIWLDSPNDMZIT-IRWWLHRVSA-N
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(2 suppliers)
Synonyms: Aflatoxicol B, Aflatoxin Ro', Aflatoxin Ro, (1R)-Aflatoxicol, Aflatoxicol, unnatural, CCRIS 2787, MolPort-004-964-425, CID151740, LS-57784, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1R-(1-alpha,6a-alpha,9a-alpha))-
Molecular Formula: | C17H14O6 | Molecular Weight: | 314.289460 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: WYIWLDSPNDMZIT-MRAOVIAESA-N
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Synonyms: 2,3-Epoxyaflatoxin B1, Aflatoxin B1-2,3-oxide, Aflatoxin B1 epoxide, Aflatoxin B1 2,3-epoxide, Aflatoxin B1 8,9-epoxide, Aflatoxin B1 exo-8,9-oxide, Aflatoxin B1 8,9-oxide, exo-Aflatoxin B1-8,9-epoxide, CCRIS 5355, BRN 5154814, Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS,7aS,8aR,8bR)-, Cyclopent(c)oxireno(4',5')furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (6aS-(6a-alpha,7a-beta,8a-beta,8b-alpha))-, 67337-06-8, 90358-59-1, AC1L2XFT, 8,9-epoxy-aflatoxin B1, Aflatoxin B1, 2,3-oxide, aflatoxin B1 exo-8,9-epoxide, Aflatoxin B1-exo-8,9-epoxide, CHEBI:30725
Molecular Formula: | C17H12O7 | Molecular Weight: | 328.272980 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: KHBXRZGALJGBPA-IRWJRLHMSA-N
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(5 suppliers)
Synonyms: Aflatoxin M4, Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-2-hydroxy-4-methoxy- (9CI)
Molecular Formula: | C17H12O7 | Molecular Weight: | 328.276 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 7 |
InChIKey: JUJRETIUKMEFIA-UHFFFAOYSA-N
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Synonyms: Aflatrem, AIDS133599, AIDS-133599, CID107718, NSC629669, {4H-3,15a-Epoxy-1-benzoxepino[6',7':6,7]indeno[1,} 2-b\]indol-4- one, 9-(1,1-dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13, 13b, 13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, {[3R-(3.alpha.,5b.alpha.,7a.beta.,13b.alpha.,13c.beta.,} 15a.alpha.)\]-, 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 9-(1,1-dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, (3R,5bS,7aS,13bS,13cR,15aS)-, 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 9-(1,1-dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, (3R-(3alpha,5balpha,7abeta,13balpha,13cbeta,15aalpha))-
Molecular Formula: | C32H39NO4 | Molecular Weight: | 501.656360 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: YVDJBQQJIDPRKP-UHFFFAOYSA-N
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IUPAC Name: 8-[5-(hydroxymethyl)-4,7-dimethoxy-2-oxochromen-3-yl]-4,7-dimethoxy-5-methylchromen-2-one | CAS Registry Number: 144429-67-4
Synonyms: UNII-84KX0BAN56, 84KX0BAN56, CHEMBL477908, (3,8'-Bi-2H-1-benzopyran)-2,2'-dione, 5-(hydroxymethyl)-4,4',7,7'-tetramethoxy-5'-methyl-, (-)-
Molecular Formula: | C24H22O9 | Molecular Weight: | 454.431 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 9 |
InChIKey: PQHCPIZEGQBDDY-UHFFFAOYSA-N
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(4 suppliers)
Synonyms: Aflavazole, (+)-Aflavazole, CID3086633, Benzo(4a,5)naphtho(2,1-c)carbazole-4,16-diol, 1,2,3,4,5,6,9,13d,14,15,16,16a-dodecahydro-1,7,14,16a-tetramethyl-, (1alpha,4alpha,4aS*,13dbeta,14alpha,16beta,16aalpha)-(+)-, Benzo(4a,5)naphtho(2,1-c)carbazole-4,16-diol, 1,2,3,4,5,6,9,13d,14,15,16,16a-dodecahydro-1,7,16a-tetramethyl-, (1R,4S,4aS,13dS,14R,16R,16aS)-rel-(+)-
Molecular Formula: | C28H35NO2 | Molecular Weight: | 417.583000 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 2 |
InChIKey: CXQOHHTZVIKVEM-KOOUEZQKSA-N
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(21 suppliers)
IUPAC Name: 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one | CAS Registry Number: 56287-74-2
Synonyms: afloqualone, Arofuto, Afloqualon, Aroft, Airomate, Airomate (TN), Afloqualone [INN:JAN], Afloqualonum [INN-Latin], Afloqualona [INN-Spanish], Afloqualone (JP15/INN), C16H14FN3O, CID2040, HQ 495, BRN 0819769, HQ-495, LS-140303, D01638, 5-25-15-00102 (Beilstein Handbook Reference), 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-chinazolinon, C033541
Molecular Formula: | C16H14FN3O | Molecular Weight: | 283.300263 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: VDOSWXIDETXFET-UHFFFAOYSA-N
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IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane | CAS Registry Number: 60164-51-4
Synonyms: 66840-50-4, 1-(Perfluoroethoxy)perfluoropropane, SCHEMBL1594229, CTK1J4208, 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)propane, DTXSID80892066, ZINC97949848, Heptafluoropropyl pentafluoroethyl ether, Propane, 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)-
Molecular Formula: | C5F12O | Molecular Weight: | 304.030 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 13 |
InChIKey: YBVRDNKKIWCSHJ-UHFFFAOYSA-N
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(6 suppliers)
IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane | CAS Registry Number: 52700-35-3
Synonyms: CTK1J4208, MolPort-001-776-508, PC3417, 1-(Pentafluoroethoxy)heptafluoropropane, AG-C-11732, Heptafluoropropyl pentafluoroethyl ether, 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)propane, Propane, 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)-, 66840-50-4
Molecular Formula: | C5F12O | Molecular Weight: | 304.033738 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 13 |
InChIKey: YBVRDNKKIWCSHJ-UHFFFAOYSA-N
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IUPAC Name: N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide | CAS Registry Number: 52450-38-1
Synonyms: AFMK, A2355_SIGMA, Formyl-N-acetyl-5-methoxykynurenamine, MolPort-003-940-099, N-Acetyl-N-formyl-5-methoxykynurenamine, CID171161, CPD-12022, NSC688263, ZINC00895837, N-acetyl-N-formyl-5-methoxykynuramine, NSC 688263, N1-acetyl-N2-formyl-5-methoxykynuramine, NCGC00165716-01, NCI60_031860, C05642, N-[3-[2-(Formylamino)-5-methoxyphenyl]-3-oxopropyl]acetamide, Acetamide, N-(3-(2-(formylamino)-5-methoxyphenyl)-3-oxopropyl)-
Molecular Formula: | C13H16N2O4 | Molecular Weight: | 264.277140 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: JYWNYMJKURVPFH-UHFFFAOYSA-N
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(9 suppliers)
IUPAC Name: (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide | CAS Registry Number: 620175-39-5
Synonyms: UNII-T3O718IKKM, API-1252, CHEMBL1652621, (E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, API 1252, T3O718IKKM, SCHEMBL724936, SCHEMBL724937, DTXSID10211069, QXTWSUQCXCWEHF-JXMROGBWSA-N, AFK-1252, BDBM50052244, ZINC38795123, AKOS027323587, 2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-3-yl)-, (2E)-, AFN-12520000, AK315838, HY-16911
Molecular Formula: | C22H21N3O3 | Molecular Weight: | 375.428 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: QXTWSUQCXCWEHF-JXMROGBWSA-N
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(10 suppliers)
IUPAC Name: 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine | CAS Registry Number: 173352-39-1
Synonyms: Fabomotizole, Obenoxazine, Obenoxazine [INN], Fabomotizole [INN], SureCN698567, SureCN698568, UNII-0F8K1X115C, MolPort-007-147-364, 5-Ethoxy-2-((2-(morpholin-4-yl)ethyl)sulfanyl)-1H-benzimidazole, 173352-21-1
Molecular Formula: | C15H21N3O2S | Molecular Weight: | 307.411140 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 5 |
InChIKey: WWNUCVSRRUDYPP-UHFFFAOYSA-N
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Synonyms: Afovirsen [INN], UNII-378RL020QM, 378RL020QM
Molecular Formula: | C192H250N57O107P19S19 | Molecular Weight: | 6266.093578 [g/mol] | H-Bond Donor: | 43 | H-Bond Acceptor: | 134 |
InChIKey: XOHQPRNFRWNWQW-NYUPDZBESA-N
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Synonyms: Afovirsen sodium, Afovirsen sodium [USAN], UNII-7EL4K2K27P, ISIS 2105, ISIS-2105, IP 2105, IP-2105, I 2105, I-2105, 2'-Deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thioadenylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-P-thiothymidylyl-(5'-3')-thymidine, nonadecasodium salt, Thymidine, 2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-P-thiothymidylyl-(5'-3)-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thioadenylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-P-thiothymidylyl-(5'-3')-, nonadecasodium salt, Thymidine, 2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thioguanylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-P-thiothymidylyl-(5'-3')-2'-deoxy-P-thiocytidylyl-(5'-3')-2'-deoxy-P-thiocytidy
Molecular Formula: | C192H231N57Na19O107P19S19 | Molecular Weight: | 6683.748334 [g/mol] | H-Bond Donor: | 24 | H-Bond Acceptor: | 134 |
InChIKey: ZWXNIBJNMPZZKZ-JILWZBBZSA-A
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IUPAC Name: (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide;methanesulfonic acid | CAS Registry Number: 468719-52-0
Synonyms: AFP464, NSC710464, AC1L9IUY, 468719-53-1, NSC-710464, KB-74532, (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide; methanesulfonic acid, 4H-1-Benzopyran-4-one,8-difluoro- 2-[3-fluoro-4-[(L-lysyl)amino]phenyl]-7-methyl-, dimethanesulfonate, Hexanamide,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]-, (2S)-, dimethanesulfonate salt, L-Lysine,8-difluoro-7-methyl-4-oxo- 4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, dimethanesulfonate
Molecular Formula: | C23H27F3N4O6S | Molecular Weight: | 544.543890 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 12 |
InChIKey: MJVICFBYAVBBOA-ZOWNYOTGSA-N
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