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Search results for: '681-331-3'

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  1. , Progesterone receptor agonist
    Gestodene, Progesterone receptor agonist
    2 Citations
    Cas Number:  60282-87-3(DMSO)
    Formula:  C21H26O2
    Molecular weight:  310.43
    Synonyms:  SH B 331 | (8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,7,8,10,11,12,13,17-octahydro-2H-...
    SMILES:  CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C
  2. Caffeic acid
    240 Citations
    Cas Number:  331-39-5       EC Number: 206-361-2
    Formula:  C9H8O4
    Molecular weight:  180.16
    Synonyms:  caffeic acid|3,4-Dihydroxycinnamic acid|331-39-5|trans-caffeic acid|501-16-6|3,4-Dihydroxybenzeneacr...
    SMILES:  C1=CC(=C(C=C1C=CC(=O)O)O)O
    InChIKey:  QAIPRVGONGVQAS-DUXPYHPUSA-N
    InChI:  InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
  3. 2-Oxooctanoic acid
    Cas Number:  328-51-8
    Formula:  CH3(CH2)5COCOOH
    Molecular weight:  158.19
    Synonyms:  2-Oxocaprylate | EINECS 206-331-9 | Octanoic acid, 2-oxo- | SCHEMBL284705 | 2-keto-3-deoxyoctanoic a...
    SMILES:  CCCCCCC(=O)C(=O)O
    InChIKey:  GPPUPQFYDYLTIY-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
  4. 3-Fluoro-4-methoxybenzyl bromide
    Cas Number:  331-61-3
    Formula:  C8H8BrFO
    Molecular weight:  219.05
    Synonyms:  3-Fluoro-4-methoxybenzyl bromide|331-61-3|4-(bromomethyl)-2-fluoro-1-methoxybenzene|3-fluoro-4-metho...
    SMILES:  COC1=C(C=C(C=C1)CBr)F
    InChIKey:  KLWYYWVSFYRPLM-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H8BrFO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3
  5. Succinamic acid
    Cas Number:  638-32-4
    Formula:  C4H7NO3
    Molecular weight:  117.1
    Synonyms:  SCHEMBL36056 | DTXSID70213241 | EINECS 211-331-7 | SUCCINAMICACID | 4-Amino-4-oxobutanoic acid # | Q...
    SMILES:  C(CC(=O)O)C(=O)N
    InChIKey:  JDVPQXZIJDEHAN-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
  6. (E)-4-Hexen-3-one
    Cas Number:  50396-87-7
    Formula:  C6H10O
    Molecular weight:  98.15
    Synonyms:  EINECS 219-681-2 | H1735 | 4-HEXEN-3-ONE [FHFI] | CHEBI:89801 | DTXSID90885909 | trans-4-hexene-3-on...
    SMILES:  CCC(=O)C=CC
    InChIKey:  FEWIGMWODIRUJM-HWKANZROSA-N
    InChI:  InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
  7. Bismuth methane sulfonate
    Cas Number:  82617-81-0       EC Number: 681-331-3
    Formula:  C3H9BiO9S3
    Molecular weight:  494.27
    SMILES:  CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Bi+3]
    InChIKey:  MNMKEULGSNUTIA-UHFFFAOYSA-K
    InChI:  InChI=1S/3CH4O3S.Bi/c3*1-5(2,3)4;/h3*1H3,(H,2,3,4);/q;;;+3/p-3
  8. , Progesterone receptor agonist
    Gestodene, Progesterone receptor agonist
    2 Citations
    Cas Number:  60282-87-3
    Formula:  C21H26O2
    Molecular weight:  310.43
    Synonyms:  SHB 331 | WL 70 | (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,17-d...
    SMILES:  CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34
    InChIKey:  SIGSPDASOTUPFS-XUDSTZEESA-N
    InChI:  InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
  9. (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
    Cas Number:  127882-73-9
    Formula:  C27H24N2O9
    Molecular weight:  520.5
    Synonyms:  GL-331 | NSC-628679 | 0I81858VSZ | GL331 | NSC628672 | (5R,5aR,8aS,9S)-5-(4-hydroxy-3,5-dimethoxyphe...
    SMILES:  COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]
    InChIKey:  DLROLUIVVKTFPW-LVEBQJTPSA-N
    InChI:  InChI=1S/C27H24N2O9/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-3-5-15(6-4-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/See more
  10. tBID
    Cas Number:  1639895-85-4(DMSO)
    Formula:  C11H3Br4N3O2
    Molecular weight:  528.78
    SMILES:  O=C1N(C2=NC=CN2)C(C3=C(Br)C(Br)=C(Br)C(Br)=C31)=O
  11. , Antagonist of CCR2;Antagonist of CCR5
    BMS-681, Antagonist of CCR2;Antagonist of CCR5
    Synonyms:  compound 13d
    SMILES:  CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C
    InChIKey:  NUJWKQSEJDYCDB-GNRVTEMESA-N
    InChI:  InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+See more
  12. DPC-681
    Cas Number:  284661-68-3
    Formula:  C35H48FN5O5S
    Molecular weight:  669.85
    Synonyms:  DPH 153893 | N-((3-Fluorophenyl)methyl)glycyl-N-((1S,2R)-3-(((3-aminophenyl)sulfonyl)(2-methylpropyl...
    SMILES:  CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N
    InChIKey:  BHPRDABYBCABNU-NCNGZOBXSA-N
    InChI:  InChI=1S/C35H48FN5O5S/c1-24(2)21-40(47(45,46)29-16-10-15-28(38)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(22-26-13-9-14-27(36)17-26)33(35(3,4)5)34(44)39-32(43)20-37/h6-17,19,24,30-31,33,42H,18,20-23,37See more
  13. DPC-681
    Cas Number:  284661-68-3(DMSO)
    Formula:  C35H48FN5O5S
    Molecular weight:  669.85
    SMILES:  CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N
  14. tBID
    Cas Number:  1639895-85-4
    Formula:  C11H3Br4N3O2
    Molecular weight:  528.78
    SMILES:  O=C1N(C2=NC=CN2)C(C3=C(Br)C(Br)=C(Br)C(Br)=C31)=O
  15. HU-331
    Cas Number:  137252-25-6
    Formula:  C21H28O3
    Molecular weight:  328.45
    Synonyms:  DTXSID10929758 | Cannabidiol hydroxyquinone (CBDHQ) 100 microg/mL in Acetonitrile | SR-01000946715-1...
    SMILES:  CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(=C)C)C
    InChIKey:  WDXXEUARVHTWQF-DLBZAZTESA-N
    InChI:  InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
  16. AMI-331 Hydrochloride
    Synonyms:  3-Bromo-1-(prop-2-yn-1-yl)-2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4|H|-pyrrolo[3,2-|c|]pyridin-4-one Hy...
  17. 1-Nonene
    4 Citations
    Cas Number:  124-11-8       EC Number: 204-681-7
    Formula:  C9H18
    Molecular weight:  126.24
    Synonyms:  1-Nonene, analytical standard | alpha-Nonene | EINECS 204-681-7 | N0613 | NSC 73961 | 1-N-None | NSC...
    SMILES:  CCCCCCCC=C
    InChIKey:  JRZJOMJEPLMPRA-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
  18. 2-Pentenenitrile
    Cas Number:  13284-42-9
    Formula:  C5H7N
    Molecular weight:  81.12
    Synonyms:  2-PENTENENITRILE | CCRIS 6089 | P0870 | 4,6-DINITRO-O-CRESOLSODIUMSALT | EINECS 203-681-4 | MFCD0000...
    SMILES:  CCC=CC#N
    InChIKey:  ISBHMJZRKAFTGE-ONEGZZNKSA-N
    InChI:  InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
  19. Octyl Benzoate
    Cas Number:  94-50-8
    Formula:  C15H22O2
    Molecular weight:  234.33
    Synonyms:  SY040460 | UNII-8JQ9R1SYRZ | 1-octyl benzoate | capryl benzoate | N-OCTYL BENZOAT | SCHEMBL132523 | ...
    SMILES:  CCCCCCCCOC(=O)C1=CC=CC=C1
    InChIKey:  VECVSKFWRQYTAL-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
  20. Citrate Concentrated Solution
    1382 Citations
    Cas Number:  68-04-2
    Formula:  C6H5O7Na3
    Molecular weight:  258.07
    Synonyms:  Oracit | Natrocitral | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt | anhydrous sodiu...
    SMILES:  C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
    InChIKey:  HRXKRNGNAMMEHJ-UHFFFAOYSA-K
    InChI:  InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
  21. N-Isopropylmethacrylamide
    1 Citations
    Cas Number:  13749-61-6       EC Number: 237-331-7
    Formula:  H2C=C(CH3)CONHCH(CH3)2
    Molecular weight:  127.18
    Synonyms:  ACRYLAMIDE, N-ISOPROPYL-2-METHYL- | 32216XNO4Q | AC-8356 | N-isopropylmethacrylic acid amide | N-iso...
    SMILES:  CC(C)NC(=O)C(=C)C
    InChIKey:  YQIGLEFUZMIVHU-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
  22. BAY-3827
    Cas Number:  2377576-35-5(DMSO)
    Formula:  C27H25FN6O
    Molecular weight:  468.53
    SMILES:  CCC1=CC=CC=C1C(NC2=NNC3=C2C=C(C4C(C#N)=C(C)N(C)C(C)=C4C#N)C(F)=C3C)=O
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  1. Small molecule 36 items
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  1. AGONIST 12 items
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