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Search results for: '1286734-87-9'
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L-(-)-Sorbose
Formula: C6H12O6Molecular weight: 180.16Synonyms: 87-79-6|L-(-)-Sorbose|(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one|Esorben|Sorbin|Sorbinose|L(-)-Sor...SMILES: C(C(C(C(C(=O)CO)O)O)O)OInChIKey: BJHIKXHVCXFQLS-OTWZMJIISA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1
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XMD 8-87
Cas Number: 1234480-46-6Formula: C24H27N7O2Molecular weight: 445.52Synonyms: 5,11-Dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-6H-pyrimido[4,5-b][1,4]...SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OCInChIKey: LGLHCXISMKHLIK-UHFFFAOYSA-NInChI: InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
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4,6-dimethylpyrimidine-5-carbaldehyde
Cas Number: 1369345-87-8Formula: C7H8N2OMolecular weight: 136.15Synonyms: 4,6-Dimethylpyrimidine-5-carbaldehyde | 1369345-87-8 | SCHEMBL3632874 | EN300-169962 | F86275 | Z141...SMILES: CC1=C(C(=NC=N1)C)C=OInChIKey: AZUJMWFGKLOGKQ-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O/c1-5-7(3-10)6(2)9-4-8-5/h3-4H,1-2H3
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2-(Benzyloxycarbonylamino)ethylboronic acid
Cas Number: 4540-87-8Formula: C10H14BNO4Synonyms: 4540-87-8|(2-(((Benzyloxy)carbonyl)amino)ethyl)boronic acid|2-(BENZYLOXYCARBONYLAMINO)ETHYLBORONIC A...SMILES: B(CCNC(=O)OCC1=CC=CC=C1)(O)OInChIKey: KHMDIKNZIMHPTI-UHFFFAOYSA-NInChI: InChI=1S/C10H14BNO4/c13-10(12-7-6-11(14)15)16-8-9-4-2-1-3-5-9/h1-5,14-15H,6-8H2,(H,12,13)
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methyl 2-amino-3-fluoro-5-(trifluoromethyl)benzoate
Cas Number: 1805393-87-6Formula: C9H7NO2F4Molecular weight: 237.15Synonyms: Methyl 2-amino-3-fluoro-5-(trifluoromethyl)benzoate | 1805393-87-6 | E88485SMILES: COC(=O)C1=C(C(=CC(=C1)C(F)(F)F)F)NInChIKey: DPWXAZXVYWXYAW-UHFFFAOYSA-NInChI: InChI=1S/C9H7F4NO2/c1-16-8(15)5-2-4(9(11,12)13)3-6(10)7(5)14/h2-3H,14H2,1H3
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Ronidazole-d3
Cas Number: 1015855-87-4Formula: C6D3H5N4O4Molecular weight: 203.17Synonyms: Ronidazole-d3|1015855-87-4|[5-nitro-1-(trideuteriomethyl)imidazol-2-yl]methyl carbamate|1H-Imidazole...SMILES: CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]InChIKey: PQFRTXSWDXZRRS-FIBGUPNXSA-NInChI: InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)/i1D3
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1-Ethoxymethyl-2-iodoimidazole
Cas Number: 146697-87-2Formula: C6H9IN2OMolecular weight: 252.1Synonyms: 1-Ethoxymethyl-2-iodoimidazole|146697-87-2|1-(Ethoxymethyl)-2-iodo-1H-imidazole|1-(ethoxymethyl)-2-i...SMILES: CCOCN1C=CN=C1IInChIKey: YISOPKRYYGYKJQ-UHFFFAOYSA-NInChI: InChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
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H87/07, Antagonist of β 1-adrenoceptor
Cas Number: 30311-37-6Synonyms: 1-isopropylamino-3-[4-(2-methoxyethoxy)-phenoxy]-2-propanol | H 87-07 | DTXSID60952672 | BDBM5040670...SMILES: COCCOc1ccc(cc1)OCC(CNC(C)C)OInChIKey: FGAPARDHTDKREN-UHFFFAOYSA-NInChI: InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
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3,6-Dibromo-2,4-dichlorotoluene
Cas Number: 951884-87-0Formula: C7H4Br2Cl2Molecular weight: 318.8Synonyms: 951884-87-0|1,4-Dibromo-3,5-dichloro-2-methylbenzene|3,6-Dibromo-2,4-dichlorotoluene|C7H4Br2Cl2|DTXS...SMILES: CC1=C(C=C(C(=C1Cl)Br)Cl)BrInChIKey: XMCAVTKZXXWDEJ-UHFFFAOYSA-NInChI: InChI=1S/C7H4Br2Cl2/c1-3-4(8)2-5(10)6(9)7(3)11/h2H,1H3
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trans-methyl 4-phenylpyrrolidine-3-carboxylate hydrochloride
Cas Number: 2059917-87-0Formula: C12H16ClNO2Molecular weight: 241.72Synonyms: Rac-methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate hydrochloride|2059917-87-0|methyl (3S,4R)-4-phe...SMILES: COC(=O)C1CNCC1C2=CC=CC=C2.ClInChIKey: LBUJDEHQFGPGOH-VZXYPILPSA-NInChI: InChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m0./s1
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Geranyl acetate
Formula: C12H20O2Molecular weight: 196.29Synonyms: GERANYL ACETATE|105-87-3|Geraniol acetate|Geranyl ethanoate|Acetic acid, geraniol ester|trans-3,7-Di...SMILES: CC(=CCCC(=CCOC(=O)C)C)CInChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-NInChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
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Creatine monohydrate
Formula: C4H9N3O2 · H2OMolecular weight: 149.15Synonyms: Creatine monohydrate|6020-87-7|2-(1-Methylguanidino)acetic acid hydrate|Creatine hydrate|Creatine, m...SMILES: CN(CC(=O)O)C(=N)N.OInChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-NInChI: InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
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2,6-Dimethylaniline
Cas Number: 87-62-7Formula: C8H11NMolecular weight: 121.18Synonyms: EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimeth...SMILES: CC1=C(C(=CC=C1)C)NInChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-NInChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
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N,N-DIPHENYLBENZYLAMINE
Cas Number: 606-87-1Formula: C19H17NMolecular weight: 259.354Synonyms: N-benzyl-N-phenylaniline|606-87-1|N,N-Diphenylbenzylamine|Benzyldiphenylamine|benzyl-diphenyl-amine|...SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=CC=CC=C3InChIKey: FKJARBPQBIATJT-UHFFFAOYSA-NInChI: InChI=1S/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
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benzyl 2,2-dimethyl-4-oxo-piperidine-1-carboxylate
Cas Number: 132644-87-2Formula: C15H19NO3Molecular weight: 261.32Synonyms: 132644-87-2 | benzyl 2,2-dimethyl-4-oxo-piperidine-1-carboxylate | SCHEMBL23123961 | MFCD30295274 | ...SMILES: CC1(CC(=O)CCN1C(=O)OCC2=CC=CC=C2)CInChIKey: UKEQVZUQAYLCSG-UHFFFAOYSA-NInChI: InChI=1S/C15H19NO3/c1-15(2)10-13(17)8-9-16(15)14(18)19-11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
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Piperoxan hydrochloride
Cas Number: 135-87-5Formula: C14H20ClNO2Molecular weight: 269.77Synonyms: Piperoxan hydrochloride|135-87-5|Benodaine hydrochloride|Piperoxan HCl|Piperoxan (hydrochloride)|933...SMILES: C1CCN(CC1)CC2COC3=CC=CC=C3O2.ClInChIKey: BITRJBQGQMGGQI-UHFFFAOYSA-NInChI: InChI=1S/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H
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4-amino-6-chloro-2-methyl-pyrimidine-5-carbaldehyde
Cas Number: 51290-87-0Formula: C6H6N3OClMolecular weight: 171.58Synonyms: 4-amino-6-chloro-2-methyl-pyrimidine-5-carbaldehyde | 51290-87-0 | SCHEMBL24096383 | AKOS017529676 |...SMILES: CC1=NC(=C(C(=N1)Cl)C=O)NInChIKey: YEGNUOUHPTXCSE-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN3O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3,(H2,8,9,10)
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1-(2-Bromophenyl)cyclopropanecarboxylic acid
Cas Number: 124276-87-5Formula: C10H9BrO2Molecular weight: 241.1Synonyms: 1-(2-Bromophenyl)cyclopropanecarboxylic acid|124276-87-5|1-(2-Bromophenyl)cyclopropane-1-carboxylic ...SMILES: C1CC1(C2=CC=CC=C2Br)C(=O)OInChIKey: BJFFZQJYJMQPHY-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrO2/c11-8-4-2-1-3-7(8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
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Pyrogallic
Formula: C6H6O3Molecular weight: 126.11Synonyms: 1,2,3-Trihydroxybenzen (CZECH) | pyrogallic acid | pyrogallol | AB-131/40221933 | DTXCID905983 | PYR...SMILES: C1=CC(=C(C(=C1)O)O)OInChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-NInChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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1-Naphthylacetic acid
Formula: C12H10O2Molecular weight: 186.21Synonyms: 1-Naphthylacetic acid|86-87-3|1-NAPHTHALENEACETIC ACID|2-(Naphthalen-1-Yl)Acetic Acid|Naphthalene-1-...SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)OInChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-NInChI: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
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Gramine
Formula: C11H14N2Molecular weight: 174.24Synonyms: A842252 | BRD-K26005076-001-03-7 | BSPBio_000598 | NCGC00016343-03 | TNP00029 | CAS-87-52-5 | FGQ8A7...SMILES: CN(C)CC1=CNC2=CC=CC=C21InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-NInChI: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
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6-bromo-1H-furo[3,4-c]pyridin-3-one
Cas Number: 1823965-87-2Formula: C7H4NO2BrMolecular weight: 214.02Synonyms: furo[3,4-c]pyridin-3(1h)-one,6-bromo- | E88308 | 6-BROMOFURO[3,4-C]PYRIDIN-3(1H)-ONE | 1823965-87-2SMILES: C1C2=CC(=NC=C2C(=O)O1)BrInChIKey: NAEOGYJCZYKXPU-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2
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5-fluoro-1H-indole-7-carboxylic acid
Cas Number: 875305-87-6Formula: C9H6FNO2Molecular weight: 179.15Synonyms: 5-fluoro-1H-indole-7-carboxylic Acid|875305-87-6|1H-Indole-7-carboxylic acid, 5-fluoro-|SCHEMBL51873...SMILES: C1=CNC2=C(C=C(C=C21)F)C(=O)OInChIKey: SXLQIJMLVHUFKL-UHFFFAOYSA-NInChI: InChI=1S/C9H6FNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
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4 Citations 
