Ergotamines, dihydroergotamines, and derivatives

Description:

Organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone.

Ancestors:

Organic compounds ⮕ Alkaloids and derivatives ⮕ Ergoline and derivatives ⮕ Lysergic acids and derivatives ⮕ Ergopeptines ⮕ Ergotamines, dihydroergotamines, and derivatives

Popular Products

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
Dihydro Ergotamine Mesylate
CAS: 6190-39-2 EC Number: 228-235-6 Formula: C₃₃H₃₇N₅O₅·CH₄O₃S Molecular Weight: 679.79

Moligand™ ? 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...
Dihydro Ergotamine Mesylate
CAS: 6190-39-2 EC Number: 228-235-6 Formula: C₃₃H₃₇N₅O₅·CH₄O₃S Molecular Weight: 679.79

Solid Moligand™ ? ≥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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