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Search results for: '259-627-5'
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3-Iodo-2-propynyl N-Butylcarbamate
Cas Number: 55406-53-6 EC Number: 259-627-5Formula: C8H12INO2Molecular weight: 281.09Synonyms: IPBC | 3-iodoprop-2-ynyl N-butylcarbamate | 1-Iodoprop-1-yn-3-yl N-n-butylcarbamate | AKOS015905567 ...SMILES: CCCCNC(=O)OCC#CIInChIKey: WYVVKGNFXHOCQV-UHFFFAOYSA-NInChI: InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
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2-Chloro-6-fluorobenzyl Chloride
Cas Number: 55117-15-2 EC Number: 259-487-5Formula: ClC6H3(F)CH2ClMolecular weight: 179.02Synonyms: SCHEMBL601569 | AM100940 | CAS-55117-15-2 | InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2 | MJG...SMILES: C1=CC(=C(C(=C1)Cl)CCl)FInChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-NInChI: InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
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Ethoxyacetic Acid
Cas Number: 627-03-2Formula: C4H8O3Molecular weight: 104.11Synonyms: Tox21_202431 | ?Ethoxyacetic acid | NSC6750 | NSC-6750 | Ethoxyacetic acid, 98% | Tox21_303384 | Z10...SMILES: CCOCC(=O)OInChIKey: YZGQDNOIGFBYKF-UHFFFAOYSA-NInChI: InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
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Adiponitrile
Formula: C6H8N2Molecular weight: 108.14Synonyms: Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitril...SMILES: C(CCC#N)CC#NInChIKey: BTGRAWJCKBQKAO-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
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(2-Fluorophenyl)acetone
Formula: FC6H4CH2COCH3Molecular weight: 152.17Synonyms: 2-fluorophenylacetone | PS-8921 | N11952 | 1-(2-Fluorophenyl)acetone | EINECS 220-627-5 | F0970 | 1-...SMILES: CC(=O)CC1=CC=CC=C1FInChIKey: BANVZEUCJHUPOI-UHFFFAOYSA-NInChI: InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
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DL-Citrulline
Cas Number: 627-77-0Formula: C6H13N3O3Molecular weight: 175.19Synonyms: DL-Citrulline|627-77-0|2-Amino-5-ureidopentanoic acid|Citrullin|2-amino-5-(carbamoylamino)pentanoic ...SMILES: C(CC(C(=O)O)N)CNC(=O)NInChIKey: RHGKLRLOHDJJDR-UHFFFAOYSA-NInChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
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1,3-Dichloro-5-(trifluoromethyl)benzene
Cas Number: 54773-20-5Formula: C7H3Cl2F3Molecular weight: 215Synonyms: 1,3-Dichloro-5-(trifluoromethyl)benzene | MFCD00203929 | SCHEMBL321756 | AS-19455 | A830364 | DTXSID...SMILES: C1=C(C=C(C=C1Cl)Cl)C(F)(F)FInChIKey: PCMPDUPKYRRIIP-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
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CL-292502
Cas Number: 25111-96-0Formula: C19H19N3OMolecular weight: 305.37Synonyms: 4-((4-(Dimethylamino)phenyl)methylene)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one|25111-96-0|4-[...SMILES: CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3InChIKey: YJCRUYAVDCDVCD-UHFFFAOYSA-NInChI: InChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3
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5-chloro-4-methyl-1H-imidazole
Cas Number: 86604-94-6Formula: C4H5ClN2Molecular weight: 116.55Synonyms: 4-Chloro-5-methyl-1H-imidazole|86604-94-6|5-chloro-4-methyl-1H-imidazole|EINECS 289-259-0|4-methyl-5...SMILES: CC1=C(N=CN1)ClInChIKey: QJHGJSHNFXKDQH-UHFFFAOYSA-NInChI: InChI=1S/C4H5ClN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
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bufuralol
Cas Number: 54340-62-4Synonyms: SCHEMBL78552 | 891H89GFT4 | Q4986049 | EINECS 259-112-5 | 5-Methyl-1(5H)-phenazinone | CHEBI:34593 |...SMILES: CCc1cccc2c1oc(c2)C(CNC(C)(C)C)OInChIKey: SSEBTPPFLLCUMN-UHFFFAOYSA-NInChI: InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
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3-Chloro-1-propanol
Formula: C3H7ClOMolecular weight: 94.54Synonyms: 3-Chloro-1-propanol 100 microg/mL in Acetonitrile | EN300-22342 | 3-Chlorpropan-1-ol | AI3-61821 | 3...SMILES: C(CO)CClInChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-NInChI: InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
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2-Quinoxaloyl chloride
Cas Number: 54745-92-5 EC Number: 259-315-9Formula: C9H5ClN2OMolecular weight: 192.6Synonyms: Quinoxaline-2-carbonyl chloride|54745-92-5|2-Quinoxalinecarbonyl chloride|2-Quinoxaloyl chloride|MLT...SMILES: C1=CC=C2C(=C1)N=CC(=N2)C(=O)ClInChIKey: SOPDQKNXOCUBSR-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H
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1-Bromo-5-chloropentane
Cas Number: 54512-75-3 EC Number: 259-193-7Formula: C5H10BrClMolecular weight: 185.49Synonyms: EINECS 259-193-7 | InChI=1/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2 | 5-Chloropentyl bromide | 5-Bromopentyl ...SMILES: C(CCCl)CCBrInChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-NInChI: InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
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5,6-Diaminobenzimidazolinone
Cas Number: 55621-49-3 EC Number: 259-728-4Formula: C7H8N4OMolecular weight: 164.16Synonyms: AKOS006242426 | 2H-Benzimidazol-2-one, 5,6-diamino-1,3-dihydro- | EINECS 259-728-4 | 5,6-Diamino-1,3...SMILES: C1=C(C(=CC2=C1NC(=O)N2)N)NInChIKey: BRISYWKBJNSDPL-UHFFFAOYSA-NInChI: InChI=1S/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)
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WAY-658430-A
Cas Number: 55745-69-2Formula: C13H18N2OMolecular weight: 218.29Synonyms: 1-((2,3-Dihydrobenzofuran-5-yl)methyl)piperazine | WAY-658430-A | DTXSID10204299 | EINECS 259-787-6 ...SMILES: C1COC2=C1C=C(C=C2)CN3CCNCC3InChIKey: WVVYETFQVXIRRZ-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2O/c1-2-13-12(3-8-16-13)9-11(1)10-15-6-4-14-5-7-15/h1-2,9,14H,3-8,10H2
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5H-Pyrido[4,3-b]indole
Cas Number: 244-69-9Formula: C11H8N2Molecular weight: 168.2Synonyms: SCHEMBL4127392 | 3-azacarbazole | NSC 160470 | NSC 758696 | BDBM50572080 | 5H-Pyrido(4,3-b)indole | ...SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CN=C3InChIKey: RDMFHRSPDKWERA-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-7,13H
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Piretanide, Inhibitor of Basolateral Na-K-Cl symporter;Inhibitor of Kidney-specific Na-K-Cl symporter
Cas Number: 55837-27-9Formula: C17H18N2O5SMolecular weight: 362.4Synonyms: HMS3372O22 | 3-(aminosulfonyl)-4-(phenyloxy)-5-pyrrolidin-1-ylbenzoic acid | Hoe-118 | Piretanido | ...SMILES: C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3InChIKey: UJEWTUDSLQGTOA-UHFFFAOYSA-NInChI: InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
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Ticlopidine, Inhibitor of CYP2B6
Cas Number: 55142-85-3Formula: C14H14ClNSMolecular weight: 263.78Synonyms: BRN 1216802 | NCGC00016872-10 | PCR 5332; Ticlid; Ticlop;Tiklyd | BSPBio_000173 | Q420571 | Ticlopid...SMILES: C1CN(CC2=C1SC=C2)CC3=CC=CC=C3ClInChIKey: PHWBOXQYWZNQIN-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
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5-(2-Hydroxyethyl)amino-o-cresol
Cas Number: 55302-96-0Formula: C9H13NO2Molecular weight: 167.21Synonyms: JAROCOL 2M5HEAP | 5-hydroxyethylamino-2-methylphenol | MFCD01707346 | O11286 | 2-methoxy-4-amino-5-c...SMILES: CC1=C(C=C(C=C1)NCCO)OInChIKey: YGRFRBUGAPOJDU-UHFFFAOYSA-NInChI: InChI=1S/C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3
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Tiamulin
Cas Number: 55297-95-5 EC Number: 259-580-0Formula: C28H47NO4SMolecular weight: 493.74Synonyms: Tiamulin|55297-95-5|Denagard|Thiamutilin|Tiamulina|Tiamuline|Tiamulinum|Tiavet P|SQ 14055|CHEBI:4413...SMILES: CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=CInChIKey: UURAUHCOJAIIRQ-QGLSALSOSA-NInChI: InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
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2-Ethoxy-5-fluoropyrimidin-4-amine
Cas Number: 56076-21-2Formula: C6H8FN3OMolecular weight: 157.15Synonyms: 2-Ethoxy-5-fluoropyrimidin-4-amine|56076-21-2|2-Ethoxy-5-fluoro-pyrimidin-4-ylamine|C6H8FN3O|EINECS ...SMILES: CCOC1=NC=C(C(=N1)N)FInChIKey: UNPWKSQAHRVMMH-UHFFFAOYSA-NInChI: InChI=1S/C6H8FN3O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
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Piperonylacetone
Cas Number: 55418-52-5Formula: C11H12O3Molecular weight: 192.21Synonyms: EN300-01368 | 3,4-Methylenedioxybenzylacetone | 4-[3,4-(methylenedioxy) phenyl]butan-2-one | AKOS001...SMILES: CC(=O)CCC1=CC2=C(C=C1)OCO2InChIKey: TZJLGGWGVLADDN-UHFFFAOYSA-NInChI: InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
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2-Ethoxy-1-naphthoyl chloride
Cas Number: 55150-29-3Formula: C13H11ClO2Molecular weight: 234.68Synonyms: W-105584 | DTXSID4069002 | MFCD00046426 | ZRVFFIXOCFUHDA-UHFFFAOYSA-N | AKOS005207289 | 1-Naphthalen...SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)ClInChIKey: ZRVFFIXOCFUHDA-UHFFFAOYSA-NInChI: InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
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