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Search results for: '1257665-17-0'
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Cacotheline Monohydrate
Cas Number: 561-20-6Formula: C21H21N3O7·HNO3·H2OMolecular weight: 490.43Synonyms: 17-Norcuran-16-propanoic acid, 19,20-didehydro-.beta.,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, ...SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)OInChIKey: IVEMPCACOMNRGI-OFDJEBHLSA-NInChI: InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1
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Velpatasvir, Nonstructural protein 5A inhibitor
Cas Number: 1377049-84-7Formula: C49H54N8O8Molecular weight: 883.019Synonyms: methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-me...SMILES: CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COCInChIKey: FHCUMDQMBHQXKK-CDIODLITSA-NInChI: See more
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4-(2,2,2-Trifluoroethyl)aniline
Cas Number: 131395-17-0Formula: C8H8F3NMolecular weight: 175.15Synonyms: 4-(2,2,2-Trifluoroethyl)aniline|131395-17-0|Benzenamine, 4-(2,2,2-trifluoroethyl)-|MFCD04972985|SCHE...SMILES: C1=CC(=CC=C1CC(F)(F)F)NInChIKey: DALKOEVEKVKJQX-UHFFFAOYSA-NInChI: InChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2
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(3S)-3-(trifluoromethoxy)pyrrolidine;hydrochloride
Cas Number: 2227199-17-7Synonyms: 2227199-17-7 | (3S)-3-(Trifluoromethoxy)pyrrolidine hydrochloride | (S)-3-(Trifluoromethoxy)pyrrolid...SMILES: C1CNCC1OC(F)(F)F.ClInChIKey: IIFGGUFFJXGABG-WCCKRBBISA-NInChI: InChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H/t4-;/m0./s1
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Isepamicin sulfate
Cas Number: 67814-76-0Formula: C22H43N5O12•H2O4SMolecular weight: 569.609808Synonyms: isepamicin sulfate|Isepamicin sulphate|67814-76-0|Isepacin|Ispallin|Exacin|Isepamicin monosulfate|39...SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)OInChIKey: DDXRHRXGIWOVDQ-MGAUJLSLSA-NInChI: See more
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1-Heptadecanoyl-rac-glycerol
Cas Number: 5638-14-2Formula: C20H40O4Molecular weight: 344.53Synonyms: JK7K7PLW5C | 2,3-dihydroxypropyl heptadecanoate | SCHEMBL2507785 | UNII-JK7K7PLW5C | 1-margaroyl-gly...SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(CO)OInChIKey: SVUQHVRAGMNPLW-UHFFFAOYSA-NInChI: InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3
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5-Benzoxazolecarboxylic acid methyl ester
Cas Number: 924869-17-0Formula: C9H7NO3Molecular weight: 177.2Synonyms: 924869-17-0|Methyl 1,3-benzoxazole-5-carboxylate|Methyl benzo[d]oxazole-5-carboxylate|Methyl 5-Benzo...SMILES: COC(=O)C1=CC2=C(C=C1)OC=N2InChIKey: VHLBJWCXFIGALN-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3
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Thiocyanic acid (2-benzothiazolylthio)methyl ester
Cas Number: 21564-17-0 EC Number: 244-445-0Formula: C9H6N2S3Molecular weight: 238.34Synonyms: 21564-17-0|TCMTB|Benthiazole|2-(Thiocyanomethylthio)benzothiazole|2-(Thiocyanatomethylthio)benzothia...SMILES: C1=CC=C2C(=C1)N=C(S2)SCSC#NInChIKey: TUBQDCKAWGHZPF-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
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16,17-alpha Epoxypregnenolone
Formula: C21H30O3Molecular weight: 330.46Synonyms: 3-(2,4-difluorophenyl)prop-2-enoic acid | EINECS 213-548-2 | W-100107 | SCHEMBL9622417 | 1-[(1R,2S,4...SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)CInChIKey: UQVIXFCYKBWZPJ-XXHSLLPRSA-NInChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
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Arachidic acid
Formula: C20H40O2Molecular weight: 312.53Synonyms: fatty acid 20:0 | NSC93983 | NSC-93983 | DTXCID3040859 | NSC 93983 | Elcosanoic Acid | InChI=1/C20H4...SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OInChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-NInChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
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3,5-dibromo-4-chloropyridine
Cas Number: 13626-17-0Formula: C5H2Br2ClNMolecular weight: 271.34Synonyms: 3,5-dibromo-4-chloropyridine|13626-17-0|4-CHLORO-3,5-DIBROMOPYRIDINE|MFCD00233993|Pyridine, 3,5-dibr...SMILES: C1=C(C(=C(C=N1)Br)Cl)BrInChIKey: XNXHPEUZNXWWCH-UHFFFAOYSA-NInChI: InChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
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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=COCInChIKey: VLLHEPHWWIDUSS-ONEGZZNKSA-NInChI: InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
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2,7-diazaspiro[4.4]nonan-1-one hydrochloride
Cas Number: 1203682-17-0Formula: C7H13ClN2OMolecular weight: 176.644Synonyms: 2,7-Diazaspiro[4.4]nonan-1-one hydrochloride|1203682-17-0|2,7-Diazaspiro[4.4]nonan-1-one HCl|2,7-dia...SMILES: C1CNCC12CCNC2=O.ClInChIKey: QUDLZPWCKCCRIU-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2O.ClH/c10-6-7(2-4-9-6)1-3-8-5-7;/h8H,1-5H2,(H,9,10);1H
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tert-Butyl 4-chloro-5-methoxypyridin-3-ylcarbamate
Cas Number: 1045858-17-0Formula: C11H15ClN2O3Molecular weight: 258.71Synonyms: DTXSID10670117 | tert-Butyl(4-chloro-5-methoxypyridin-3-yl)carbamate | AKOS015850099 | FT-0708490 | ...SMILES: CC(C)(C)OC(=O)NC1=CN=CC(=C1Cl)OCInChIKey: CMPICGRRRJGMTH-UHFFFAOYSA-NInChI: InChI=1S/C11H15ClN2O3/c1-11(2,3)17-10(15)14-7-5-13-6-8(16-4)9(7)12/h5-6H,1-4H3,(H,14,15)
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6-Bromo-5-methoxy-1H-indazole
Cas Number: 1206800-17-0Formula: C8H7BrN2OMolecular weight: 227.06Synonyms: DTXSID10719272 | A892135 | 6-Bromo-5-methoxy-1H-indazole, 95% | CS-W000409 | USRTZJDWQCNIEN-UHFFFAOY...SMILES: COC1=C(C=C2C(=C1)C=NN2)BrInChIKey: USRTZJDWQCNIEN-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrN2O/c1-12-8-2-5-4-10-11-7(5)3-6(8)9/h2-4H,1H3,(H,10,11)
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(19S)-7-bromo-19-ethyl-19-hydroxy-10-methyl-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione, Inhibitor of DNA topoisomerase I
Synonyms: compound 19SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)BrInChIKey: WBLBIGPXRKCBEI-FQEVSTJZSA-NInChI: InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1
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4-Chlorothiazole-5-carboxaldehyde
Cas Number: 104146-17-0Formula: C4H2ClNOSMolecular weight: 147.59Synonyms: 4-Chlorothiazole-5-carboxaldehyde|104146-17-0|4-chloro-1,3-thiazole-5-carbaldehyde|4-chlorothiazole-...SMILES: C1=NC(=C(S1)C=O)ClInChIKey: GJTWEAFBOIYNLZ-UHFFFAOYSA-NInChI: InChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H
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(R)-(-)-Apomorphine, Agonist of 5-HT 1A receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor;Agonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptor;Agonist of D 1 receptor;Agonist of D 2 re
Cas Number: 58-00-4Formula: C17H17NO2Molecular weight: 267.32Synonyms: Prestwick1_000101 | (-)-10,11-Dihydroxyaporphine | (9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{...SMILES: CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)OInChIKey: VMWNQDUVQKEIOC-CYBMUJFWSA-NInChI: InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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Aflatoxin B1-13C17
Cas Number: 1217449-45-0Formula: 13C17H12O6Molecular weight: 329.15Synonyms: Aflatoxin B1-13C17|1217449-45-0|(3S,7R)-11-(113C)Methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.01...SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1InChIKey: OQIQSTLJSLGHID-DENWKYDXSA-NInChI: See more
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4-Methoxy-3-buten-2-one
Cas Number: 4652-27-1Formula: C5H8O2Molecular weight: 100.12Synonyms: AKOS005259956 | 4-Methoxy-3-buten-2-one | 4-METHOXY-3-BUTEN-2-ONE51731-17-0 | DTXSID501308458 | (3E)...SMILES: CC(=O)C=COCInChIKey: VLLHEPHWWIDUSS-ONEGZZNKSA-NInChI: InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
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tert-butyl N-(4-amino-2-chloro-5-fluoro-phenyl)carbamate
Cas Number: 2665663-17-0Formula: C11H14N2O2FClMolecular weight: 260.69Synonyms: tert-butyl N-(4-amino-2-chloro-5-fluoro-phenyl)carbamate | MFCD32862051 | D78980 | 4-Amino-1-(Boc-am...SMILES: CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)F)N)ClInChIKey: OAAURPCVAXVZSB-UHFFFAOYSA-NInChI: InChI=1S/C11H14ClFN2O2/c1-11(2,3)17-10(16)15-9-5-7(13)8(14)4-6(9)12/h4-5H,14H2,1-3H3,(H,15,16)
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Prednisone 21-acetate
Cas Number: 125-10-0Formula: C23H28O6Molecular weight: 400.46Synonyms: Prednisone acetate|Prednisone 21-acetate|125-10-0|Cortancyl|Delcortin|Deltalone|Nisone|delta-corlin|...SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)OInChIKey: MOVRKLZUVNCBIP-RFZYENFJSA-NInChI: InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
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18 Citations 
