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Search results for: '6417-83-0'

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  1. Pigment Red 63:1
    Cas Number:  6417-83-0
    Formula:  C21H12CaN2O6S
    Molecular weight:  460.47
    Synonyms:  AKA220 | C.I. NO.15880 (D&C RED NO. 34) | 3-HYDROXY-4-((1-SULFO-2-NAPHTHALENYL)AZO)-2-NAPHTHALENECAR...
    SMILES:  C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-].[Ca+2]
    InChIKey:  OVHKKOQGPOYPLY-UHFFFAOYSA-L
    InChI:  InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2
  2. bicyclo[3.2.1]octane-1-carboxylic acid
    Cas Number:  2534-83-0
    Formula:  C9H14O2
    Molecular weight:  154.21
    Synonyms:  Bicyclo[3.2.1]octane-1-carboxylic acid | 2534-83-0 | SCHEMBL11015180 | Bicyclo[3.2.1]octane-1-carbox...
    SMILES:  C1CC2CCC(C1)(C2)C(=O)O
    InChIKey:  HJDYARCZSGKTIG-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H14O2/c10-8(11)9-4-1-2-7(6-9)3-5-9/h7H,1-6H2,(H,10,11)
  3. 3-(2-Bromophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
    Cas Number:  1033201-83-0
    Formula:  C14H8BrClN2O
    Molecular weight:  335.6
    Synonyms:  3-(2-Bromophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole|1033201-83-0|DTXSID10674498|MFCD10699652|AKOS0...
    SMILES:  C1=CC=C(C(=C1)C2=NOC(=N2)C3=CC(=CC=C3)Cl)Br
    InChIKey:  OWRHRDZBLZWKSE-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H8BrClN2O/c15-12-7-2-1-6-11(12)13-17-14(19-18-13)9-4-3-5-10(16)8-9/h1-8H
  4. N-(6-chloro-3-fluoro-2-nitro-phenyl)acetamide
    Cas Number:  2751490-83-0
    Formula:  C8H6N2O3FCl
    Molecular weight:  232.6
    Synonyms:  N-(6-Chloro-3-fluoro-2-nitro-phenyl)acetamide | F78112 | N-(6-Chloro-3-fluoro-2-nitrophenyl)acetamid...
    SMILES:  CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])F)Cl
    InChIKey:  JJFMZDGHIKHQSI-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H6ClFN2O3/c1-4(13)11-7-5(9)2-3-6(10)8(7)12(14)15/h2-3H,1H3,(H,11,13)
  5. 3-(trifluoromethyl)cyclobutanol
    Cas Number:  1788054-83-0
    Formula:  C5H7OF3
    Molecular weight:  140.1
    Synonyms:  3-(Trifluoromethyl)cyclobutan-1-ol | 1788054-83-0 | trans-3-(trifluoromethyl)cyclobutanol | 3-(Trifl...
    SMILES:  C1C(CC1O)C(F)(F)F
    InChIKey:  XGAGIAQWWXHRJN-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H7F3O/c6-5(7,8)3-1-4(9)2-3/h3-4,9H,1-2H2
  6. Triacetyl resveratrol
    2 Citations
    Cas Number:  42206-94-0
    Formula:  C20H18O6
    Molecular weight:  354.35
    Synonyms:  triacetylresveratrol|42206-94-0|Acetyl-trans-resveratrol|Triacetyl resveratrol|(E)-5-(4-ACETOXYSTYRY...
    SMILES:  CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC(=O)C)OC(=O)C
    InChIKey:  PDAYUJSOJIMKIS-SNAWJCMRSA-N
    InChI:  InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
  7. 5-Fluoro-2-methoxyaniline, HCl
    Cas Number:  326-83-0
    Formula:  C7H9ClFNO
    Molecular weight:  177.6
    Synonyms:  5-FLUORO-2-METHOXYANILINE HYDROCHLORIDE|326-83-0|5-Fluoro-2-methoxyaniline, HCl|5-fluoro-2-methoxyan...
    SMILES:  COC1=C(C=C(C=C1)F)N.Cl
    InChIKey:  KZXVFYUNWRUFBB-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H8FNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
  8. (2-NITRO-BENZYL)-TRIPHENYL-PHOSPHONIUM, BROMIDE
    Cas Number:  23308-83-0
    Formula:  C25H21BrNO2P
    Molecular weight:  478.329
    Synonyms:  (2-Nitrobenzyl)triphenylphosphonium bromide|23308-83-0|(2-nitrophenyl)methyl-triphenylphosphanium;br...
    SMILES:  C1=CC=C(C=C1)[P+](CC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
    InChIKey:  ATURWXASWONPRT-UHFFFAOYSA-M
    InChI:  InChI=1S/C25H21NO2P.BrH/c27-26(28)25-19-11-10-12-21(25)20-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
  9. 1-(4-Methoxybenzoyl)-4-piperidinecarboxylic acid
    Cas Number:  510739-83-0
    Formula:  C14H17NO4
    Molecular weight:  263.29
    Synonyms:  510739-83-0|1-(4-methoxybenzoyl)piperidine-4-carboxylic acid|1-(4-methoxybenzoyl)-4-piperidinecarbox...
    SMILES:  COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O
    InChIKey:  ZMEVUKYYWCUUJF-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
  10. N-(p-Maleimidophenyl)isocyanate
    Cas Number:  123457-83-0
    Formula:  C11H6N2O3
    Molecular weight:  214.18
    Synonyms:  123457-83-0|4-(Maleinimido)phenyl isocyanate|4-Maleimidophenyl isocyanate|1-(4-isocyanatophenyl)pyrr...
    SMILES:  C1=CC(=CC=C1N=C=O)N2C(=O)C=CC2=O
    InChIKey:  OJQSISYVGFJJBY-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H6N2O3/c14-7-12-8-1-3-9(4-2-8)13-10(15)5-6-11(13)16/h1-6H
  11. 3-Amino-4-(trifluoromethyl)benzonitrile
    Cas Number:  1220630-83-0
    Formula:  C8H5F3N2
    Molecular weight:  186.13
    Synonyms:  3-Amino-4-(trifluoromethyl)benzonitrile|1220630-83-0|Benzonitrile, 3-amino-4-(trifluoromethyl)-|MFCD...
    SMILES:  C1=CC(=C(C=C1C#N)N)C(F)(F)F
    InChIKey:  CZYRYIJZODSVTK-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2
  12. 4-(trifluoromethyl)pyrrolidin-2-one
    Cas Number:  664304-83-0
    Formula:  C5H6F3NO
    Molecular weight:  153.104
    Synonyms:  4-(Trifluoromethyl)pyrrolidin-2-one|664304-83-0|4-(TRIFLUOROMETHYL)-2-PYRROLIDINONE|MFCD20275329|2-P...
    SMILES:  C1C(CNC1=O)C(F)(F)F
    InChIKey:  KXAVNCLUOSJVJV-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
  13. 4,5-dichloro-2-thiazolecarboxaldehyde
    Cas Number:  1173897-83-0
    Formula:  C4HCl2NOS
    Molecular weight:  182.03
    Synonyms:  4,5-dichloro-2-Thiazolecarboxaldehyde | 1173897-83-0 | 4,5-Dichlorothiazole-2-carbaldehyde | 4,5-dic...
    SMILES:  C(=O)C1=NC(=C(S1)Cl)Cl
    InChIKey:  RJGXURZAPLEJGL-UHFFFAOYSA-N
    InChI:  InChI=1S/C4HCl2NOS/c5-3-4(6)9-2(1-8)7-3/h1H
  14. 3,3,5,5-Tetramethylmorpholin-2-one
    Cas Number:  90032-83-0
    Formula:  C8H15NO2
    Molecular weight:  157.21
    Synonyms:  3,3,5,5-tetramethylmorpholin-2-one|90032-83-0|MFCD09722829|3,3,5,5-TETRAMETHYL-2-MORPHOLINONE|3,3,5,...
    SMILES:  CC1(COC(=O)C(N1)(C)C)C
    InChIKey:  BCBKUYDNRBNODE-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H15NO2/c1-7(2)5-11-6(10)8(3,4)9-7/h9H,5H2,1-4H3
  15. 2-Methylnonane
    1 Citations
    Cas Number:  871-83-0       EC Number: 212-814-5
    Formula:  C10H22
    Molecular weight:  142.29
    Synonyms:  2-METHYLNONANE|871-83-0|Nonane, 2-methyl-|2 - methylnonane|Octane, dimethyl-|68551-16-6|382AKH052V|N...
    SMILES:  CCCCCCCC(C)C
    InChIKey:  SGVYKUFIHHTIFL-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
  16. 6-Chloro-5-pivalamidopicolinic acid
    Cas Number:  1142191-83-0
    Formula:  C11H13ClN2O3
    Molecular weight:  256.69
    Synonyms:  AKOS015848568 | 6-Chloro-5-pivalamidopicolinicacid | DTXSID30673908 | 6-Chloro-5-[(2,2-dimethyl-1-ox...
    SMILES:  CC(C)(C)C(=O)NC1=C(N=C(C=C1)C(=O)O)Cl
    InChIKey:  LZPRASZVDWUTNR-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H13ClN2O3/c1-11(2,3)10(17)14-6-4-5-7(9(15)16)13-8(6)12/h4-5H,1-3H3,(H,14,17)(H,15,16)
  17. 5-Chloropyrazine-2-carboxylic acid hydrazide
    Cas Number:  848952-83-0
    Formula:  C5H5ClN4O
    Molecular weight:  172.6
    Synonyms:  5-Chloropyrazine-2-carboxylic acid hydrazide|848952-83-0|5-chloropyrazine-2-carbohydrazide|5-Chloro-...
    SMILES:  C1=C(N=CC(=N1)Cl)C(=O)NN
    InChIKey:  IBDISQAOUDHXSW-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H5ClN4O/c6-4-2-8-3(1-9-4)5(11)10-7/h1-2H,7H2,(H,10,11)
  18. trans-3-(trifluoromethyl)cyclobutanol
    Cas Number:  2091782-60-2
    Formula:  C5H7OF3
    Molecular weight:  140.1
    Synonyms:  3-(Trifluoromethyl)cyclobutan-1-ol | 1788054-83-0 | trans-3-(trifluoromethyl)cyclobutanol | 3-(Trifl...
    SMILES:  C1C(CC1O)C(F)(F)F
    InChIKey:  XGAGIAQWWXHRJN-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H7F3O/c6-5(7,8)3-1-4(9)2-3/h3-4,9H,1-2H2
  19. Euquinine
    Cas Number:  83-75-0
    Formula:  C23H28N2O4
    Molecular weight:  396.48
    Synonyms:  quinine ethylcarbonate|EUQUININE|83-75-0|QUININE ETHYL CARBONATE|Aecachinium|Euquinin|Quinine etabon...
    SMILES:  CCOC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC
    InChIKey:  NSBRKSWSLRQPJW-WWLNLUSPSA-N
    InChI:  InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16-,21-,22+/m0/s1
  20. 2-Amino-5-bromoquinazoline
    Cas Number:  181871-83-0
    Formula:  C8H6BrN3
    Molecular weight:  224.06
    Synonyms:  5-BROMOQUINAZOLIN-2-AMINE|181871-83-0|2-Amino-5-bromoquinazoline|2-Quinazolinamine, 5-bromo-|MFCD098...
    SMILES:  C1=CC2=NC(=NC=C2C(=C1)Br)N
    InChIKey:  GFCQMFNVELGDHD-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H6BrN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
  21. trans-3-methylcyclobutanecarboxylic acid
    Synonyms:  3-Methylcyclobutanecarboxylic acid|57252-83-2|cis-3-Methylcyclobutanecarboxylic acid|TRANS-3-METHYLC...
    SMILES:  CC1CC(C1)C(=O)O
    InChIKey:  ZLXHOVJKNATDMT-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
  22. 4′-Aminobenzanilide
    Cas Number:  17625-83-1       EC Number: 241-603-0
    Formula:  C6H5CONHC6H4NH2
    Molecular weight:  212.25
    Synonyms:  4'-Aminobenzanilide|17625-83-1|N-(4-Aminophenyl)benzamide|Benzamide, N-(4-aminophenyl)-|N-(4-Amino-p...
    SMILES:  C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N
    InChIKey:  GTTFJYUWPUKXJH-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
  23. 3-Amino-6-bromobiphenyl
    Cas Number:  1036750-83-0
    Formula:  C12H10BrN
    Molecular weight:  248.1
    Synonyms:  1036750-83-0|3-AMINO-6-BROMOBIPHENYL|6-Bromo-[1,1'-biphenyl]-3-amine|4-bromo-3-phenylaniline|6-Bromo...
    SMILES:  C1=CC=C(C=C1)C2=C(C=CC(=C2)N)Br
    InChIKey:  CZTUHSJLGKCOSC-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H10BrN/c13-12-7-6-10(14)8-11(12)9-4-2-1-3-5-9/h1-8H,14H2
  24. 1-Indanone
    5 Citations
    Cas Number:  83-33-0       EC Number: 201-470-1
    Formula:  C9H8O
    Molecular weight:  132.16
    Synonyms:  1-Indanone|83-33-0|2,3-Dihydro-1H-inden-1-one|Indan-1-one|INDANONE|alpha-Indanone|alpha-Hydrindone|2...
    SMILES:  C1CC(=O)C2=CC=CC=C21
    InChIKey:  QNXSIUBBGPHDDE-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
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  1. Moligand™ 50 items
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  1. AGONIST 18 items
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