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Ergopeptines

Description:

Ergoline derivatives that contain a tripeptide structure attached to the basic ergoline ring in the same location as the amide group of the lysergic acid derivatives.

Ancestors:

Organic compounds ⮕ Alkaloids and derivatives ⮕ Ergoline and derivatives ⮕ Lysergic acids and derivatives ⮕ Ergopeptines

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    Ergotamine bitartrate
    Formula: C70H76N10O16 Molecular Weight: 1313.4
    Out of Stock Item #: E671301
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    Technical Identifiers
    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
    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)37-13-7-12-27show more
    Synonyms
    ergotamine tartrate | Ergotamini tartras | NSC-41869 | SCHEMBL12481537 | Ergotamine bitartrate | CHEMBL2448612
  2. dihydroergocryptine - , used for , CAS No. D609889, by Aladdin Scientific
    dihydroergocryptine
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: D609889
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    Technical Identifiers
    IUPAC Name
    N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2show more
    SMILES
    CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C
    InChIKey
    PBUNVLRHZGSROC-UHFFFAOYSA-N
    InChI
    1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-show more
    Synonyms
    12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman | Dihydroergocryptine | 12'-Hydroxy-5'-iso...
  3. beta-ergocriptine - , used for , CAS No. B608015, by Aladdin Scientific
    beta-ergocriptine
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: B608015
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    Technical Identifiers
    IUPAC Name
    (4R,7R)-N-[(1S,2S,4R,7R)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diashow more
    SMILES
    CC[C@@H]([C@@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C
    InChIKey
    YYWXOXLDOMRDHW-SGVWFJRMSA-N
    InChI
    1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-show more
  4. Dihydro Ergotamine Mesylate
    Dihydro Ergotamine Mesylate
    CAS: 6190-39-2 EC Number: 228-235-6 Formula: C33H37N5O5·CH4O3S Molecular Weight: 679.79
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    Out of Stock Item #: D425125
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    Technical Identifiers
    IUPAC Name
    (6aR,9R,10aR)-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,8,9,10,10a-hexahydshow more
    SMILES
    CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
    InChIKey
    ADYPXRFPBQGGAH-UMYZUSPBSA-N
    InChI
    1S/C33H37N5O5.CH4O3S/c1-32(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)37-13-7-12-27(37show more
    Synonyms
    Dihydroergotamine mesylate|Dihydroergotamine methanesulfonate|Dihydergot|Migranal|6190-39-2|Dihytamine|Dihydroergotam...
  5. Dihydro Ergotamine Mesylate - Moligand™, ≥98% CAS No(6190-39-2) by Aladdin Scientific
    Dihydro Ergotamine Mesylate
    CAS: 6190-39-2 EC Number: 228-235-6 Formula: C33H37N5O5·CH4O3S Molecular Weight: 679.79
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: D137302
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    (6aR,9R,10aR)-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,8,9,10,10a-hexahydshow more
    SMILES
    CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
    InChIKey
    ADYPXRFPBQGGAH-UMYZUSPBSA-N
    InChI
    1S/C33H37N5O5.CH4O3S/c1-32(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)37-13-7-12-27(37show more
    Synonyms
    C33H37N5O5.CH3SO3H | D.H.E. 45 | Dihydergot | Dihydroergotamine mesilate | DIHYDROERGOTAMINE MESYLATE [USP MONOGRAPH]...
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