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:

Organic compounds ⮕ Alkaloids and derivatives

1-tert-butyl 3-methyl 1,2,5,6-tetrahydropyridine-1,3-dicarboxylate
- ≥97%
Cas Number: 125097-83-8 Compound CID: 11128444

Formula: C₁₂H₁₉NO₄ Molecular Weight: 241.28

SMILES: CC(C)(C)OC(=O)N1CCC=C(C1)C(=O)OC

InChIKey: OSEDCXAVONLPOJ-UHFFFAOYSA-N

InChI: InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h6H,5,7-8H2,1-4H3
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tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
- ≥97%
Cas Number: 870889-20-6 Compound CID: 53395263

IUPAC Name: tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate

SMILES: CC1(CC2CCC(C1)N2C(=O)OC(C)(C)C)O

InChIKey: SLERKVCWNKEZEG-UHFFFAOYSA-N

InChI: InChI=1S/C13H23NO3/c1-12(2,3)17-11(15)14-9-5-6-10(14)8-13(4,16)7-9/h9-10,16H,5-8H2,1-4H3
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tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
- ≥97%
Cas Number: 174486-93-2

Formula: C₁₂H₂₂N₂O₂ Molecular Weight: 226.32

IUPAC Name: tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

SMILES: CC(C)(C)OC(=O)N1C2CCC1CC(C2)N

InChIKey: NZJKEPNCNBWESN-UHFFFAOYSA-N

InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3
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[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride
Formula: C₂₅H₂₆ClNO₄ Molecular Weight: 439.9

IUPAC Name: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride

SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=CC4)OC(=O)C6=CC=CC=C6.Cl

InChIKey: VVCUIDHKAHHSAN-JJHQWJQCSA-N

InChI: InChI=1S/C25H25NO4.ClH/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26;/h3-8,10-11,17-18,23H,9,12-show more

Synonyms: KP-201 | CHEMBL3137310

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Ergotamine bitartrate
Formula: C₇₀H₇₆N₁₀O₁₆ Molecular Weight: 1313.4

IUPAC Name: (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolshow more

SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=show more

InChIKey: CJMJLDQKTOJACI-SEUSHGJOSA-N

InChI: InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7show more

Synonyms: ergotamine tartrate | Ergotamini tartras | NSC-41869 | SCHEMBL12481537 | Ergotamine bitartrate | CHEMBL2448612

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8-Azabicyclo(3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)-
Cas Number: 195875-68-4

Formula: C₁₆H₂₁Cl₂NO Molecular Weight: 314.2

IUPAC Name: (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane

SMILES: CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)COC

InChIKey: PGYDXVBZYKQYCS-VPWBDBDCSA-N

InChI: InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1

Synonyms: NS-2359 | 8-AZABICYCLO(3.2.1)OCTANE, 3-(3,4-DICHLOROPHENYL)-2-(METHOXYMETHYL)-8-METHYL-, (1R,2R,3S,5S)- | UNII-76H765...

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Naldemedine tosylate
Cas Number: 1345728-04-2 Compound CID: 56837137

Formula: C₃₉H₄₂N₄O₉S Molecular Weight: 742.8

IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofushow more

SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C(C4C56CCN(C(C5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)O

InChIKey: WCYDLROFMZJJLE-RTMHEQJQSA-N

InChI: InChI=1S/C32H34N4O6.C7H8O3S/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13show more

Synonyms: Naldemedine tosylate | 17-(Cyclopropylmethyl)-6,7-didehydro-4,5a-epoxy-3,6,14-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiaz...

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(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-[2-[[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycar
Formula: C₈₆H₁₀₉N₂₁O₂₆S₂ Molecular Weight: 1917

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(show more

SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NNC(=O)OCCSSCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)show more

InChIKey: KUZYSQSABONDME-QRLOMCMNSA-N

InChI: InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75show more

Synonyms: CHEMBL3039521 | KUZYSQSABONDME-QRLOMCMNSA-N

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(19S)-19-ethyl-19-hydroxy-8-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Formula: C₂₅H₂₈N₂O₄Si Molecular Weight: 448.6

IUPAC Name: (19S)-19-ethyl-19-hydroxy-8-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,show more

SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O

InChIKey: SYXGVIWFCCQOEK-VWLOTQADSA-N

InChI: InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-16(13-27(21)23(28)18(19)14-31-24(25)29)11-17-15(9-10-32(2,3)4)7-6-8-20(17)26-22/h6-8,11-12,30H,5,9-10,13-show more

Synonyms: CHEMBL1743260 | SYXGVIWFCCQOEK-VWLOTQADSA-N

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(6aR,9R)-N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
Formula: C₂₅H₃₁N₃O₆ Molecular Weight: 469.5

IUPAC Name: (6aR,9R)-N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid

SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O

InChIKey: LWYXFDXUMVEZKS-TZTNOGQLSA-N

InChI: InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,show more

Synonyms: CHEMBL3989558 | SR-01000075582-1 | SR-01000075582

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Codeine phosphate hydrate
Formula: C₁₈H₂₆NO₈P Molecular Weight: 415.4

IUPAC Name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;phosphoric acid;hydrate

SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.OP(=O)(O)O

InChIKey: JPGKFBXFEQWCAI-CCLYOLAMSA-N

InChI: InChI=1S/C18H21NO3.H3O4P.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4;/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2show more

Synonyms: CODEINE PHOSPHATE | SCHEMBL2515523 | Codeine phosphate cii | AKOS015904328 | Codeine phosphate bp | JPGKFBXFEQWCAI-CC...

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(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2,3-dihydroxybutanedioic acid;dihydrate
Formula: C₂₂H₃₁NO₁₁ Molecular Weight: 485.5

IUPAC Name: (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2,3-dihydroxybutanedioic acid;dihydratshow more

SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.C(C(C(=O)O)O)(C(=O)O)O.O.O

InChIKey: IUAXSWPNEQYKDR-GXTZACRKSA-N

InChI: InChI=1S/C18H21NO3.C4H6O6.2H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10;;/h3,6,11-12,17H,4-5,7-9Hshow more

Synonyms: CHEMBL3989677

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