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Methylergometrine

Methylergometrine structure

CAS No:
113-42-8
Formula:
C20H25N3O2
Chemical Name:
Methylergometrine
Synonyms:
Ergoline-8-carboxamide,9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-,(8β)-;Ergoline-8β-carboxamide,9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methyl-;Ergoline-8-carboxamide,9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-,[8β(S)]-;Lysergamide,N-[(S)-1-(hydroxymethyl)propyl]-;Indolo[4,3-fg]quinoline,ergoline-8-carboxamide deriv.;(8β)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methylergoline-8-carboxamide;N-[α-(Hydroxymethyl)propyl]-D-lysergamide;Methylergobasin;Partergin;Ergometrine,methyl-;Methylergonovine;Methylergometrin;Methylergobasine;D-Lysergic acid-(+)-1-hydroxy-2-butylamide;Methylergometrine;Methergen;Methylergobrevin;479-03-8;29477-86-9;29589-73-9;78207-86-0
Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System

Description

Shiny crystals; melts at 172°C (341.6°F);moderately soluble in water, dissolves readilyin alcohol and acetone.

N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.|A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)

Methylergometrine Basic Attributes

Molecular Weight：

339.436

Exact Mass：

339.43

EC Number：

204-027-0

NSC Number：

186067

DSSTox ID：

DTXSID1023283

Characteristics

PSA：

68.4

XLogP3：

1.2

Density：

1.1492 (rough estimate)

Melting Point：

172 °C

Boiling Point：

475.4°C (rough estimate)

Flash Point：

339.9±31.5 °C

Refractive Index：

1.6650 (estimate)

Water Solubility：

2.04e-01 g/L

Storage Conditions：

Desiccate at RT

Vapor Pressure：

7.75X10-14 mm Hg at 25 deg C (est)

Toxicity：

LD50 orl-rat: 93 mg/kg 27ZIAQ -,163,73

Specific rotation：

D20 -45° (c = 0.4 in pyridine)

Safety Information

Stability/Shelf Life：

It must be protected from light and heat /Maleate/

Precautionary statement(s)：

P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

Drug Information

MeSH：

Drugs that stimulate contraction of the myometrium. They are used to induce LABOR, OBSTETRIC at term, to prevent or control postpartum or postabortion hemorrhage, and to assess fetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (ABORTIFACIENTS). Oxytocics used clinically include the neurohypophyseal hormone OXYTOCIN and certain prostaglandins and ergot alkaloids. (From AMA Drug Evaluations, 1994, p1157) (See all compounds classified as Oxytocics.)

MeSH Entry Terms：

Méthergin

Methylergometrine Use and Manufacturing

Uses

This compound is a homologue of ergonovine.It is used in the treatment of postpartumhemorrhage. Oxytocic.Active metabolite of methysergide ; uterotonic agent and oxytocic.

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:339.4
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:339.19467705
Monoisotopic Mass:339.19467705
Topological Polar Surface Area:68.4
Heavy Atom Count:25
Complexity:549
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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113-42-8

CAS No.: 113-42-8

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METHYLERGON 99% Dideu-113428 Dideu

CAS No.: 113-42-8

Grade: Industrial Grade

Content: 99%

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