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Search results for: '80-48-8'
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Compound 48/80 trihydrochloride
Cas Number: 848035-21-2Formula: C32H48Cl3N3O3Molecular weight: 629.10SMILES: CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC.Cl.Cl.ClInChIKey: KIAWAQJORBNOIF-UHFFFAOYSA-NInChI: InChI=1S/C32H45N3O3.3ClH/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3;3*1H
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Compound 48/80 trihydrochloride
Cas Number: 848035-21-2(DMSO)Formula: C32H48Cl3N3O3Molecular weight: 629.10SMILES: CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC.Cl.Cl.Cl
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Compound 48/80 (hydrochloride)
Formula: C32H45N3O3 • XHCl (for trimer)Molecular weight: 519.7
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Compound 48/80, Agonist of MRGPRX2
Cas Number: 94724-12-6SMILES: [HH].[HH].[HH].CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC.Cl.ClInChIKey: JBUOZOMGMXJHSP-UHFFFAOYSA-NInChI: InChI=1S/C32H45N3O3.2ClH.3H2/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;;;/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3;5*1H
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Methyl-p-toluenesulfonate
Formula: C8H10O3SMolecular weight: 186.23Synonyms: methyl-4-methylbenzenesulfonate | MFCD00069406 | NSC406335 | NSC-406335 | p-Methylbenzenesulfonate m...SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCInChIKey: VUQUOGPMUUJORT-UHFFFAOYSA-NInChI: InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
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1-Bromo-4-chloroisoquinoline
Cas Number: 925890-48-8Formula: C9H5BrClNMolecular weight: 242.5Synonyms: 1-Bromo-4-chloroisoquinoline|925890-48-8|SCHEMBL17026767|DTXSID50590582|MFCD08437045|AKOS022173803|D...SMILES: C1=CC=C2C(=C1)C(=CN=C2Br)ClInChIKey: DWURDEVVUPUUPU-UHFFFAOYSA-NInChI: InChI=1S/C9H5BrClN/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H
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bulaquine
Cas Number: 79781-00-3Formula: C21H27N3O3Molecular weight: 369.46Synonyms: (3Z)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one | CDRI 80/53 | Bulaq...SMILES: CC(CCCNC(=C1CCOC1=O)C)NC2=C3C(=CC(=C2)OC)C=CC=N3InChIKey: ADCOUXIGWFEYJP-SDXDJHTJSA-NInChI: InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-
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Ethyl gallate
Formula: C9H10O5Molecular weight: 198.17Synonyms: ETHYL GALLATE|831-61-8|Ethyl 3,4,5-trihydroxybenzoate|Gallic acid ethyl ester|Phyllemblin|Nipagallin...SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)OInChIKey: VFPFQHQNJCMNBZ-UHFFFAOYSA-NInChI: InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
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1-(4-Bromobutoxy)-3-Chlorobenzene
Cas Number: 23529-80-8Formula: C10H12BrClOMolecular weight: 263.56Synonyms: 1-(4-bromobutoxy)-3-chlorobenzene|23529-80-8|3-Chlorophenoxybutylbromide|m-(4-bromobutoxy)chlorobenz...SMILES: C1=CC(=CC(=C1)Cl)OCCCCBrInChIKey: NFQQHXYGFYKMQL-UHFFFAOYSA-NInChI: InChI=1S/C10H12BrClO/c11-6-1-2-7-13-10-5-3-4-9(12)8-10/h3-5,8H,1-2,6-7H2
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3-bromo-8-methylquinoline
Cas Number: 66438-80-0Formula: C10H8BrNMolecular weight: 222.08Synonyms: 3-Bromo-8-methylquinoline | 66438-80-0 | SCHEMBL14661368 | MFCD18448354 | AKOS026745889 | 5-bromo-2-...SMILES: CC1=C2C(=CC=C1)C=C(C=N2)BrInChIKey: SHTGZBWYHRHZHT-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrN/c1-7-3-2-4-8-5-9(11)6-12-10(7)8/h2-6H,1H3
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methyl 5-amino-2-methyl-pyridine-4-carboxylate
Cas Number: 860369-48-8Formula: C8H10N2O2Molecular weight: 166.18Synonyms: methyl 5-amino-2-methylisonicotinate | 860369-48-8 | SCHEMBL17540971 | methyl5-amino-2-methylisonico...SMILES: CC1=CC(=C(C=N1)N)C(=O)OCInChIKey: DJRWLEJRTANVJG-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O2/c1-5-3-6(8(11)12-2)7(9)4-10-5/h3-4H,9H2,1-2H3
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4-hydroxy-7-iodo-indan-1-one
Cas Number: 1260017-48-8Formula: C9H7O2IMolecular weight: 274.05Synonyms: SCHEMBL16555466 | 4-HYDROXY-7-IODO-INDAN-1-ONE | F86229 | 4-hydroxy-7-iodo-2,3-dihydro-1H-inden-1-on...SMILES: C1CC(=O)C2=C(C=CC(=C21)O)IInChIKey: FNEKRCOAAVJUAV-UHFFFAOYSA-NInChI: InChI=1S/C9H7IO2/c10-6-2-4-7(11)5-1-3-8(12)9(5)6/h2,4,11H,1,3H2
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Methyl 6-carbamimidoylnicotinate hydrochloride
Cas Number: 1179361-48-8Formula: C8H10ClN3O2Molecular weight: 215.64Synonyms: methyl 6-carbamimidoylnicotinate hydrochloride|1179361-48-8|methyl 6-carbamimidoylpyridine-3-carboxy...SMILES: COC(=O)C1=CN=C(C=C1)C(=N)N.ClInChIKey: BVBZDTOYEDJEPV-UHFFFAOYSA-NInChI: InChI=1S/C8H9N3O2.ClH/c1-13-8(12)5-2-3-6(7(9)10)11-4-5;/h2-4H,1H3,(H3,9,10);1H
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Midecamycin
Cas Number: 35457-80-8 EC Number: 252-578-0Formula: C41H67NO15Molecular weight: 814Synonyms: midecamycin|Rubimycin|Espinomycin A|Platenomycin B1|Turimycin P3|Normicina|Myoxam|Mydecamycin|Medeca...SMILES: CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)CInChIKey: DMUAPQTXSSNEDD-QALJCMCCSA-NInChI: See more
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7-Bromo-8-methylquinoline-4-ol
Cas Number: 1189106-48-6Formula: C10H8BrNOMolecular weight: 238.08Synonyms: DTXSID70597295 | 7-bromo-8-methyl-1H-quinolin-4-one | 7-Bromo-8-methylquinolin-4(1H)-one | 7-Bromo-4...SMILES: CC1=C(C=CC2=C1NC=CC2=O)BrInChIKey: ZAVPTOAEDIJTJV-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO/c1-6-8(11)3-2-7-9(13)4-5-12-10(6)7/h2-5H,1H3,(H,12,13)
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MRT00033659
Cas Number: 1401731-54-1Formula: C15H14N4OMolecular weight: 266.30SMILES: CC1=C2C=C(C=NC2=NN1)C3=CC(=CC=C3)NC(=O)CInChIKey: YFBPGSDPFRCNOY-UHFFFAOYSA-NInChI: InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19)
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Methyl 8-bromo-5-fluoro-4-hydroxyquinoline-2-carboxylate
Cas Number: 1133115-48-6Formula: C11H7BrFNO3Molecular weight: 300.1Synonyms: SB72490 | 1133115-48-6 | AKOS015834728 | Methyl 8-bromo-5-fluoro-4-oxo-1,4-dihydroquinoline-2-carbox...SMILES: COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)FInChIKey: VSCVZLBQUCUVBY-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrFNO3/c1-17-11(16)7-4-8(15)9-6(13)3-2-5(12)10(9)14-7/h2-4H,1H3,(H,14,15)
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exo-3-hydroxy-8-azabicyclo[3.2.1]octane hydrochloride
Cas Number: 17366-48-2Formula: C7H14ClNOMolecular weight: 163.65Synonyms: 17366-48-2|EXO-3-HYDROXY-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE|Nortropine, HCl|exo-8-Azabicyclo[3....SMILES: C1CC2CC(CC1N2)O.ClInChIKey: RROJVSOIIWHLCQ-VPEOJXMDSA-NInChI: InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H/t5-,6+,7?;
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8-oxa-2-azaspiro[4.5]decane hydrochloride
Cas Number: 1408074-48-5Formula: C8H16ClNOMolecular weight: 177.67Synonyms: 8-oxa-2-azaspiro[4.5]decane hydrochloride|1408074-48-5|8-OXA-2-AZASPIRO[4.5]DECANE HCL|8-OXA-2-AZA-S...SMILES: C1CNCC12CCOCC2.ClInChIKey: MJLGNFCIGGNZGV-UHFFFAOYSA-NInChI: InChI=1S/C8H15NO.ClH/c1-4-9-7-8(1)2-5-10-6-3-8;/h9H,1-7H2;1H
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2-(5-hydroxy-2-pyridyl)acetic acid
Cas Number: 1214345-48-8 EC Number: 822-814-2Formula: C7H7NO3Molecular weight: 153.14Synonyms: AKOS022966613 | SCHEMBL4178273 | EN300-188341 | 1214345-48-8 | 2-(5-hydroxypyridin-2-yl)aceticacid |...SMILES: C1=CC(=NC=C1O)CC(=O)OInChIKey: BZRCUHNZOAAEGU-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c9-6-2-1-5(8-4-6)3-7(10)11/h1-2,4,9H,3H2,(H,10,11)
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3-({[(tert-butoxy)carbonyl]amino}methyl)cyclobutane-1-carboxylic acid
Cas Number: 1630907-04-8Formula: C11H19NO4Molecular weight: 229.276Synonyms: 1630907-04-8|1427319-48-9|3-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)CYCLOBUTANECARBOXYLIC ACID|1638772-0...SMILES: CC(C)(C)OC(=O)NCC1CC(C1)C(=O)OInChIKey: NBZXLLZSQJEBME-UHFFFAOYSA-NInChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-7-4-8(5-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
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Methyl 2,2-diethoxyacetimidate
Cas Number: 76742-48-8Formula: C7H15NO3Molecular weight: 161.199Synonyms: methyl 2,2-diethoxyacetimidate|76742-48-8|methyl 2,2-diethoxyethanimidate|2,2-diethoxy-ethanimidic a...SMILES: CCOC(C(=N)OC)OCCInChIKey: YKOUABZEDZDJEY-UHFFFAOYSA-NInChI: InChI=1S/C7H15NO3/c1-4-10-7(11-5-2)6(8)9-3/h7-8H,4-5H2,1-3H3
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N-[(Phenylmethoxy)Carbonyl]-beta-Alanyl-L-Valine
Cas Number: 61058-48-8Formula: C16H22N2O5Molecular weight: 322.35Synonyms: 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid|61058-48-8|Z-beta-Ala-Val|NSC...SMILES: CC(C)C(C(=O)O)NC(=O)CCNC(=O)OCC1=CC=CC=C1InChIKey: XFMVOOGGOCFBNM-UHFFFAOYSA-NInChI: InChI=1S/C16H22N2O5/c1-11(2)14(15(20)21)18-13(19)8-9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
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8 Citations 
