CAS 113-42-8: Methylergometrine

Description: Methylergometrine, also known as methylergometrine maleate, is a semi-synthetic derivative of ergot alkaloids, primarily used in obstetrics to prevent or treat postpartum hemorrhage due to uterine atony. It acts as a potent uterotonic agent, stimulating uterine contractions and promoting the expulsion of the placenta. The chemical structure of methylergometrine includes a complex bicyclic structure characteristic of ergot alkaloids, with specific functional groups that contribute to its pharmacological activity. It is typically administered via intramuscular or oral routes, and its effects can be observed relatively quickly. Methylergometrine is known for its side effects, which may include hypertension, nausea, and headache, necessitating careful monitoring during use. The substance is classified under various regulatory frameworks due to its medicinal properties, and its use is generally contraindicated in certain conditions, such as hypertension or cardiovascular diseases. Overall, methylergometrine plays a crucial role in maternal healthcare, particularly in managing complications associated with childbirth.

Formula: C₂₀H₂₅N₃O₂

InChI: InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1

InChI key: InChIKey=UNBRKDKAWYKMIV-QWQRMKEZSA-N

SMILES: O=C(NC(CO)CC)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1

Synonyms:

• (8β)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methylergoline-8-carboxamide
• <span class="text-smallcaps">D</span>-Lysergic acid-(+)-1-hydroxy-2-butylamide
• D-Lysergic acid-(+)-1-hydroxy-2-butylamide
• Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-, [8β(S)]-
• Ergoline-8β-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methyl-
• Ergometrine, methyl-
• Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.
• Lysergamide, N-[(S)-1-(hydroxymethyl)propyl]-
• Methergen
• Methylergobasin
• Methylergobasine
• Methylergobrevin
• Methylergometrin
• Methylergometrine
• Methylergonovine
• Metilergometrinio
• N-[α-(Hydroxymethyl)propyl]-<span class="text-smallcaps">D</span>-lysergamide
• N-[α-(Hydroxymethyl)propyl]-D-lysergamide
• Partergin
• Methylergometrinum [INN-Latin]
• Lysergic acid butanolamide
• Metilergometrinio [INN-Spanish]
• D-Lysergic acid-dl-hydroxybutylamide-2
• 9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide
• (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
• Methylergometrine [INN:BAN]
• 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide
• Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-1-(hydroxymethyl)propyl)-6-methyl-
• Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-, (8beta(S))-
• (8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergolin-6-ium-8-carboxamide
• Metilergometrina
• Methylergometrinum
• Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-, (8β)-
• UNII-W53L6FE61V
• D-Lysergic acid-(+)-butanolamide-(2)
• Basofortina
• Metilergometrina [DCIT]
• N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide
• ME 277
• Methylergonovin
• HSDB 3364

Methyl Ergonovine-D6 Maleate Salt

CAS: 113-42-857432-61-8

• Formula: C₂₀H₁₉D₆N₃O₂·(C₄H₄O₄)
• Color and Shape: Neat
• Molecular weight: 461.54

Methyl Ergonovine-D7 Maleate Salt

CAS: 113-42-857432-61-8

• Formula: C₂₀H₁₈D₇N₃O₂·(C₄H₄O₄)
• Color and Shape: Neat
• Molecular weight: 462.54