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Alkaloids and derivatives
Description:
Naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
Ancestors:
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LipotecanCas Number: 1432468-79-5 Compound CID: 46871946Formula: C39H30N8O15 Molecular Weight: 850.7IUPAC Name: show moreSMILES: show moreInChIKey: JCCCLGDYMMTBPM-HXDHBHDHSA-NInChI: show moreSynonyms: Lipothecan free base | Propanoic acid, 2-(((2,4,5,7-tetranitro-9H-fluoren-9-ylidene)amino)oxy)-, (4S)-10-((dimethylam...
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Dihydrocodeine tartrateFormula: C22H29NO9 Molecular Weight: 451.5IUPAC Name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2,3-dihydroxybutanedioic acidSMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O.C(C(C(=O)O)O)(C(=O)O)OInChIKey: ZGSZBVAEVPSPFM-FFHNEAJVSA-NInChI: show moreSynonyms: Dihydrocodeine bitartrate cii | CHEMBL2062266 | dihydrocodeine hydrogen tartrate | dihydrocodeine tartrate | (4R,4aR,...
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2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrateFormula: C21H33NO9 Molecular Weight: 443.5IUPAC Name: 2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrateSMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O.O.OInChIKey: UMZNDVASJKIQCB-SODJFYQGSA-NInChI: show moreSynonyms: CHEMBL3989768
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Naloxiphane tartrateFormula: C23H31NO7 Molecular Weight: 433.5IUPAC Name: 2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-olSMILES: C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)OInChIKey: FWMLYVACGDQRFU-MBHUSPCXSA-NInChI: show moreSynonyms: NALOXIPHANE TARTRATE | CHEMBL2062276 | SCHEMBL209270
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Pentazocine hydrochlorideCas Number: 22205-05-6Formula: C19H28ClNO Molecular Weight: 321.9IUPAC Name: 1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochlorideSMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.ClInChIKey: OQGYMIIFOSJQSF-UHFFFAOYSA-NInChI: InChI=1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1HSynonyms: DTXSID70944866 | SCHEMBL40964 | Pentazocinhydrochlorid | 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-di...
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(+)-Sparteine (sulfate pentahydrate)Formula: C15H38N2O9S Molecular Weight: 422.5IUPAC Name: (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid;pentahydrateSMILES: C1CCN2CC3CC(C2C1)CN4C3CCCC4.O.O.O.O.O.OS(=O)(=O)OInChIKey: WNSDDGBLIALDPB-HTZKOJAYSA-NInChI: show moreSynonyms: (+)-Sparteine (sulfate pentahydrate) | MS-27422 | NSC-755834 | Sparteinum sulphuricum | HY-B1304A | (-)-Sparteine sul...
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4-bromo-5-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenolCas Number: 179107-93-8 Compound CID: 9429823Formula: C16H18BrNO3 Molecular Weight: 352.22IUPAC Name: 4-bromo-5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenolSMILES: COC1=CC(Br)=C(CNCCC2=CC=C(O)C=C2)C=C1OInChIKey: JBFKJIRYXUAQSW-UHFFFAOYSA-NInChI: InChI=1S/C16H18BrNO3/c1-21-16-9-14(17)12(8-15(16)20)10-18-7-6-11-2-4-13(19)5-3-11/h2-5,8-9,18-20H,6-7,10H2,1H3
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Belotecanicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dioneCas Number: 256411-32-2 Compound CID: 6456014Formula: C25H27N3O4 Molecular Weight: 433.5IUPAC Name: show moreSMILES: CC(C)NCCC1=C2C(=NC3C1=CC=CC=3)C4N(C2)C(=O)C5=C(C=4)[C@](CC)(O)C(=O)OC5InChIKey: LNHWXBUNXOXMRL-VWLOTQADSA-NInChI: show moreSynonyms: Belotecan | HY-13566 | UNII-27Z82M2G1N | CKD 602 | CHEBI:135702 | Belotecan free base | (4S)-4-ETHYL-4-HYDROXY-11-(2-...
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NITD-609 EnantiomerCas Number: 1193314-24-7 Compound CID: 44251608Formula: C19H14Cl2FN3O Molecular Weight: 390.2IUPAC Name: (3S,3'R)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-oneSMILES: C[C@@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@]2(N1)C(=O)NC1=C2C=C(Cl)C=C1InChIKey: CKLPLPZSUQEDRT-YLVJLNSGSA-NInChI: show more
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NorapomorphineCas Number: 478-76-2Formula: C16H15NO2 Molecular Weight: 253.29IUPAC Name: (6aR)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolSMILES: C1CNC2CC3=C(C4=CC=CC1=C24)C(=C(C=C3)O)OInChIKey: MHPQCGZBAVXCGA-GFCCVEGCSA-NInChI: InChI=1S/C16H15NO2/c18-13-5-4-10-8-12-14-9(6-7-17-12)2-1-3-11(14)15(10)16(13)19/h1-5,12,17-19H,6-8H2/t12-/m1/s1Synonyms: Norapomorphine | 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-, (R)- | DTXSID40197286 | BDBM50012989 | 5...
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KetazocineCas Number: 36292-69-0Formula: C18H23NO2 Molecular Weight: 285.4IUPAC Name: (1R,9S,13R)-10-(cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-oneSMILES: CC1C2C(=O)C3=C(C1(CCN2CC4CC4)C)C=C(C=C3)OInChIKey: HQBZLVPZOGIAIQ-SDDDUWNISA-NInChI: InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1Synonyms: Ketazocine | Win 34,276 | WIN-34276 | 6IO4IG518S | (1R,9S,13R)-10-(cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azat...
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HarmalanCas Number: 525-41-7 Compound CID: 160510Formula: C12H12N2 Molecular Weight: 184.24IUPAC Name: 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indoleSMILES: CC1=NCCC2=C1NC3=CC=CC=C23InChIKey: CWOYLIJQLSNRRN-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3Synonyms: Harmalan | 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole | 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole | 1-Methyl-4,9-d...
