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  1. Retinoic acid
    Cas Number: 302-79-4        EC Number: 206-129-0
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name:  (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES:  CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI:  InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  2. 9-cis-Retinoic Acid, Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Agonist of Retinoid X receptor-α;Agonist of Retinoid X receptor-β;Agonist of Retinoid X receptor-γ
    Cas Number: 5300-03-8        EC Number: 610-929-9, 691-439-2
    Formula:  C20H28O2        Molecular Weight: 300.435
    IUPAC Name:  (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES:  CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-ZVCIMWCZSA-N
    InChI:  InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
    Synonyms: Isotretinoin Retinoic acid | Toctino | (2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetr...
  3. 9-cis-Retinoic Acid, Retinoid receptor agonist
    Cas Number: 5300-03-8        EC Number: 610-929-9, 691-439-2
    Formula:  C20H28O2        Molecular Weight: 300.435
    IUPAC Name:  (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES:  CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-ZVCIMWCZSA-N
    InChI:  InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
    Synonyms: Isotretinoin Retinoic acid | Toctino | (2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetr...
  4. Fluphenazine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of D 1 receptor;Antagonist of D 2 receptor;Antagonist of D 5 receptor;Antagonist of H 1 receptor
    Cas Number: 69-23-8
    Formula:  C22H26F3N3OS        Molecular Weight: 437.53
    IUPAC Name:  2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
    SMILES:  C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
    InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
    Synonyms: Siqualine | 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- | BDBM78433 | KBio2_007522 | SP...
  5. Bexarotene, Retinoid X receptor agonist
    Cas Number: 153559-49-0
    Formula:  C24H28O2        Molecular Weight: 348.48
    IUPAC Name:  4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
    SMILES:  CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
    InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N
    InChI:  InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
    Synonyms: BEXAROTENE [MART.] | Bexarotene [USAN:INN:BAN] | 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzo...
  6. Tazarotene, Retinoic acid receptor agonist
    Cas Number: 118292-40-3        Compound CID:  5381
    Formula:  C21H21NO2S        Molecular Weight: 351.46
    IUPAC Name:  ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
    SMILES:  CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
    InChIKey: OGQICQVSFDPSEI-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
    Synonyms: 6-(4,4-Dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester | BT164442 | ethyl 6-[2-(4,4-dimethylthiochroman-...
  7. Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
  8. Retinoic acid, Retinoic acid receptor agonist
    Cas Number: 302-79-4        EC Number: 206-129-0
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name:  (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES:  CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI:  InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  9. TTNPB (Arotinoid Acid), Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ
    Cas Number: 71441-28-6        Compound CID:  5289501
    Formula:  C24H28O2        Molecular Weight: 348.49
    IUPAC Name:  4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
    SMILES:  CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
    InChIKey: FOIVPCKZDPCJJY-JQIJEIRASA-N
    InChI:  InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
    Synonyms: NCGC00024775-03 | (E)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acid | BSPBi...
  10. Ketoconazole
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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