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

Corydalmine
- ≥95%
Cas Number: 30413-84-4 Compound CID: 161665

Formula: C₂₀H₂₃NO₄ Molecular Weight: 341.4

IUPAC Name: (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol

SMILES: COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)OC

InChIKey: DIHXHTWYVOYYDC-INIZCTEOSA-N

InChI: InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
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Corytuberine
- ≥98%
Cas Number: 517-56-6 Compound CID: 160500

IUPAC Name: (6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol

SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC

InChIKey: WHFUDAOCYRYAKQ-LBPRGKRZSA-N

InChI: InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
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Aristolactam BII
- ≥97%
Cas Number: 53948-09-7 Compound CID: 162739

IUPAC Name: 14,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

SMILES: COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)OC

InChIKey: YHQIYHDLBZXUON-UHFFFAOYSA-N

InChI: InChI=1S/C17H13NO3/c1-20-13-8-11-14-12(18-17(11)19)7-9-5-3-4-6-10(9)15(14)16(13)21-2/h3-8H,1-2H3,(H,18,19)
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Aristolactam AII
- ≥98%
Cas Number: 53948-07-5 Compound CID: 148657

Formula: C₁₆H₁₁NO₃ Molecular Weight: 265.26

IUPAC Name: 14-hydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

SMILES: COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O

InChIKey: ZEKAIRFOYPDZNC-UHFFFAOYSA-N

InChI: InChI=1S/C16H11NO3/c1-20-15-12(18)7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15/h2-7,18H,1H3,(H,17,19)
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Aporheine
- ≥95%
Cas Number: 2030-53-7 Compound CID: 800239

IUPAC Name: (12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3

InChIKey: JCTYWRARKVGOBK-AWEZNQCLSA-N

InChI: InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m0/s1
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Apovincamine
- ≥98%
Cas Number: 4880-92-6 Compound CID: 71204

Formula: C₂₁H₂₄N₂O₂ Molecular Weight: 336.43

IUPAC Name: methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC

InChIKey: OZDNDGXASTWERN-CTNGQTDRSA-N

InChI: InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1
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8-Azabicyclo[3.2.1]octan-3-one
- ≥95%
Cas Number: 5632-84-8 Compound CID: 434453

Formula: C₇H₁₁NO Molecular Weight: 125.17

IUPAC Name: 8-azabicyclo[3.2.1]octan-3-one

SMILES: C1CC2CC(=O)CC1N2

InChIKey: CVDLBKMNONQOHJ-UHFFFAOYSA-N

InChI: InChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2

Synonyms: Nortropan-3-one
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5-Methoxycanthin-6-one
- ≥98%
Cas Number: 15071-56-4 Compound CID: 259218

IUPAC Name: 3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

SMILES: COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34

InChIKey: TXEFUSAHPIYZHD-UHFFFAOYSA-N

InChI: InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
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tert-Butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
- ≥98%
Cas Number: 478837-18-2

Formula: C₁₂H₂₁NO₃ Molecular Weight: 227.3

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

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

InChIKey: SEGZJJSZYOEABC-UHFFFAOYSA-N

InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3
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R(-)-N-Allylnorapomorphine
- ≥98%
Cas Number: 18426-17-0 Compound CID: 838674

Formula: C₁₉H₁₉NO₂ Molecular Weight: 293.4

IUPAC Name: (6aR)-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

SMILES: C=CCN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O

InChIKey: XEXUKNQDDPKEIF-OAHLLOKOSA-N

InChI: InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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Pseudopalmatine
- ≥98%
Cas Number: 19716-66-6 Compound CID: 644002

Formula: C₂₁H₂₂NO₄+ Molecular Weight: 352.4

IUPAC Name: 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

SMILES: COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)OC

InChIKey: CLFBXKHKECKSQM-UHFFFAOYSA-N

InChI: InChI=1S/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1
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Guvacine ethyl ester
- ≥98%
Cas Number: 18513-76-3 Compound CID: 205701

Formula: C₈H₁₃NO₂ Molecular Weight: 155.19

IUPAC Name: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate

SMILES: CCOC(=O)C1=CCCNC1

InChIKey: DBJSKLKTQJMDTJ-UHFFFAOYSA-N

InChI: InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3
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