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Search results for: '257-570-0'

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  1. 2-ETHYL-2-PHENYLBUTYRONITRILE
    Cas Number:  5336-57-2
    Formula:  C12H15N
    Molecular weight:  173.26
    Synonyms:  2-Ethyl-2-phenylbutyronitrile|2-ethyl-2-phenylbutanenitrile|5336-57-2|NSC343|EINECS 226-257-0|AI3-33...
    SMILES:  CCC(CC)(C#N)C1=CC=CC=C1
    InChIKey:  NIWOFSGCBJZYJQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
  2. Titanium tetrafluoride
    10 Citations
    Cas Number:  7783-63-3
    Formula:  F4Ti
    Molecular weight:  123.86
    Synonyms:  EINECS 257-011-0 | A840304 | MFCD00042545 | UNII-T08RW8YRG1 | Q126258 | EINECS 232-017-6 | BCP28986 ...
    SMILES:  F[Ti](F)(F)F
    InChIKey:  XROWMBWRMNHXMF-UHFFFAOYSA-J
    InChI:  InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4
  3. 2-Butyloctanoic acid
    Cas Number:  27610-92-0       EC Number: 248-570-1
    Formula:  CH3(CH2)5CH[(CH2)3CH3]CO2H
    Molecular weight:  200.32
    Synonyms:  2-Butyloctanoic acid|27610-92-0|OCTANOIC ACID, 2-BUTYL-|butyloctanoic acid|5-Undecanecarboxylic acid...
    SMILES:  CCCCCCC(CCCC)C(=O)O
    InChIKey:  OARDBPIZDHVTCK-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
  4. Dimethyl sulfate-d₆
    Cas Number:  15199-43-6       EC Number: 239-257-0
    Formula:  (CD3O)2SO2
    Molecular weight:  132.17
    Synonyms:  Methan-d3-ol, sulfate (2:1) | Dimethylsulfate-d6 | bis(trideuteriomethyl) sulfate | Di((2H3)methyl) ...
    SMILES:  COS(=O)(=O)OC
    InChIKey:  VAYGXNSJCAHWJZ-WFGJKAKNSA-N
    InChI:  InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3/i1D3,2D3
  5. trans,trans-2,4-Hexadienyl acetate
    Cas Number:  1516-17-2       EC Number: 216-163-8
    Formula:  CH3(CH=CH)2CH2OC(O)CH3
    Molecular weight:  140.18
    Synonyms:  EINECS 203-570-0 | J-500788 | trans,trans-2,4-Hexadienyl acetate, 97% | FEMA no. 4132 | LMFA07010180...
    SMILES:  CC=CC=CCOC(=O)C
    InChIKey:  PXVKYPFROMBALG-VNKDHWASSA-N
    InChI:  InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
  6. Mefloquine Hydrochloride
    1 Citations
    Cas Number:  51773-92-3
    Formula:  C17H16F6N2O·HCl
    Molecular weight:  414.78
    Synonyms:  Mefloquine hydrochloride|Mefloquine HCL|51773-92-3|Mephaquin|Loriam|WR 142490 hydrochloride|Ro 21-59...
    SMILES:  C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
    InChIKey:  WESWYMRNZNDGBX-YLCXCWDSSA-N
    InChI:  InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1
  7. 4-Nitrophenyl phosphate, bis(cyclohexylammonium) salt
    Cas Number:  52483-84-8       EC Number: 257-949-0
    Formula:  C18H32N3O6P
    Molecular weight:  417.44
    Synonyms:  EINECS 257-949-0 | cyclohexanamine;(4-nitrophenyl) dihydrogen phosphate | 4-Nitrophenyl phosphate bi...
    SMILES:  C1CCC(CC1)N.C1CCC(CC1)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
    InChIKey:  KXNNUYCXODNFBD-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2
  8. Cobalt(II) benzoate
    Cas Number:  932-69-4
    Formula:  C14H10CoO4
    Molecular weight:  301.16
    Synonyms:  Benzoic acid, cobalt(2+) salt (2:1) | Cobalt benzoate | AKOS015839084 | Cobalt dibenzoate | SCHEMBL1...
    SMILES:  C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Co+2]
    InChIKey:  GAYAMOAYBXKUII-UHFFFAOYSA-L
    InChI:  InChI=1S/2C7H6O2.Co/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
  9. 3,5-Dimethoxybenzamide
    Cas Number:  17213-58-0       EC Number: 241-257-0
    Formula:  (CH3O)2C6H3CONH2
    Molecular weight:  181.19
    Synonyms:  NSC 16615 | EINECS 241-257-0 | 3,5-Dimethoxybenzamide, 97% | DTXSID20169209 | MFCD00007987 | InChI=1...
    SMILES:  COC1=CC(=CC(=C1)C(=O)N)OC
    InChIKey:  YTLRWVNYANKXOW-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)
  10. trans-4-Methoxy-3-buten-2-one
    Synonyms:  AKOS005259956 | 4-Methoxy-3-buten-2-one | 4-METHOXY-3-BUTEN-2-ONE51731-17-0 | DTXSID501308458 | (3E)...
    SMILES:  CC(=O)C=COC
    InChIKey:  VLLHEPHWWIDUSS-ONEGZZNKSA-N
    InChI:  InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
  11. 1-O-Propyl-rac-glycerol
    Cas Number:  61940-71-4
    Formula:  C6H14O3
    Molecular weight:  134.17
    Synonyms:  3-Propoxypropane-1,2-diol, >=98% (GC) | NSC 167418 | MFCD00128145 | AKOS027384271 | BRN 1736327 | EI...
    SMILES:  CCCOCC(CO)O
    InChIKey:  ZTKZJXGLCCVMLJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H14O3/c1-2-3-9-5-6(8)4-7/h6-8H,2-5H2,1H3
  12. Calcium 3-Methyl-2-oxobutyrate
    1 Citations
    Cas Number:  51828-94-5
    Formula:  C10H14CaO6
    Molecular weight:  270.29
    Synonyms:  calcium;3-methyl-2-oxobutanoate | DTXSID60199787 | (RS)-3-METHYL-2-OXOBUTYRIC ACID CALCIUM | alpha-K...
    SMILES:  CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-].[Ca+2]
    InChIKey:  IMZGMVJQWNJKCI-UHFFFAOYSA-L
    InChI:  InChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2
  13. Trimethylolpropane Tris[3-(aziridin-1-yl)propionate]
    Cas Number:  52234-82-9
    Formula:  C21H35N3O6
    Molecular weight:  425.53
    Synonyms:  DS-2764 | 1-Aziridinepropanoic acid, 1,1'-(2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-ethyl-1,3-pro...
    SMILES:  CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
    InChIKey:  KDRBAEZRIDZKRP-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
  14. Cephalosporin C sodium salt
    Cas Number:  51762-04-0
    Formula:  C16H20N3NaO8S
    Molecular weight:  437.4
    Synonyms:  51762-04-0|CEPHALOSPORIN C SODIUM|Cephalosporin C sodium salt|sodium;(6R,7R)-3-(acetyloxymethyl)-7-[...
    SMILES:  CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)[O-].[Na+]
    InChIKey:  HZWLVUKHUSRPCG-BJIHTTGYSA-M
    InChI:  InChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1/t9?,11-,14-;/m1./s1
  15. Methyl (4-Chlorophenyl)acetate
    Cas Number:  52449-43-1
    Formula:  C9H9ClO2
    Molecular weight:  184.62
    Synonyms:  2-(piperazin-1-yl)-ethanol | 4-Chlorophenylacetic acid methyl ester | EN300-142043 | SY051360 | SCHE...
    SMILES:  COC(=O)CC1=CC=C(C=C1)Cl
    InChIKey:  WWIYGBWRUXQDND-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
  16. 4-Methoxy-3-buten-2-one
    Cas Number:  4652-27-1
    Formula:  C5H8O2
    Molecular weight:  100.12
    Synonyms:  AKOS005259956 | 4-Methoxy-3-buten-2-one | 4-METHOXY-3-BUTEN-2-ONE51731-17-0 | DTXSID501308458 | (3E)...
    SMILES:  CC(=O)C=COC
    InChIKey:  VLLHEPHWWIDUSS-ONEGZZNKSA-N
    InChI:  InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
  17. 1-(6-Amino-5-methoxyindolin-1-yl)ethanone
    Cas Number:  23772-41-0
    Formula:  C11H14N2O2
    Molecular weight:  206.24
    Synonyms:  1-(6-Amino-5-methoxyindolin-1-yl)ethanone|23772-41-0|1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)etha...
    SMILES:  CC(=O)N1CCC2=CC(=C(C=C21)N)OC
    InChIKey:  QIRVVAXQAJLVHQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H14N2O2/c1-7(14)13-4-3-8-5-11(15-2)9(12)6-10(8)13/h5-6H,3-4,12H2,1-2H3
  18. PF-04979064
    Cas Number:  1220699-06-8
    Formula:  C24H26N6O3
    Molecular weight:  446.5
    Synonyms:  (S)-1-(1-(2-hydroxypropanoyl)piperidin-4-yl)-3-methyl-8-(6-methylpyridin-3-yl)-1H-imidazo[4,5-c][1,5...
    SMILES:  CC1=NC=C(C=C1)C2=NC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCN(CC5)C(=O)C(C)O)C
    InChIKey:  GACQNUHFDBEIQH-HNNXBMFYSA-N
    InChI:  InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
  19. 4-(1-Pyrrolidino)benzaldehyde
    1 Citations
    Cas Number:  51980-54-2       EC Number: 257-570-0
    Formula:  C11H13NO
    Molecular weight:  175.23
    Synonyms:  Z57127459 | 4-pyrrolidinobenzaldehyde | F0679 | FT-0616490 | SCHEMBL253732 | A828869 | DTXSID4019994...
    SMILES:  C1CCN(C1)C2=CC=C(C=C2)C=O
    InChIKey:  DATXHLPRESKQJK-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
  20. Epaminurad
    Cas Number:  1198153-15-9
    Formula:  C14H10Br2N2O3
    Molecular weight:  414.05
    Synonyms:  EX-A4697 | UNII-0YP1ME85GH | Epaminurad;UR-1102;UR1102 | (3,5-dibromo-4-hydroxyphenyl)(2H-pyrido[4,3...
    SMILES:  C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2
    InChIKey:  ZMVGQIIOXCGAFV-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2
  21. , Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3;Antagonist of D 2 receptor
    Flunarizine, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3;Antagonist of D 2 receptor
    Cas Number:  52468-60-7       EC Number: 257-937-5, 254-842-0
    Formula:  C26H26F2N2
    Molecular weight:  404.5
    Synonyms:  1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine
    SMILES:  C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
    InChIKey:  SMANXXCATUTDDT-QPJJXVBHSA-N
    InChI:  InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
  22. MS432
    Cas Number:  2672512-44-4
    Formula:  C50H65F3IN7O6S
    Molecular weight:  1076.06
    SMILES:  O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCCCNCCCONC(C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F)=O)=O)=O)C[C@H](O)C1)N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C
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  1. Small molecule 42 items
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