甲基麦角新碱

Description

methylergometrine · CAS 113-42-8 · C20H25N3O2. UNII W53L6FE61V. Melting Point: 172; Melting Point: 172 °C; Solubility: 25.

Identification

CAS Registry Number	113-42-8
PubChem CID	8226
Molecular formula	C20H25N3O2
IUPAC name	(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
UNII (FDA)	W53L6FE61V

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Melting Point	172
Melting Point	172 °C
Solubility	25
Solubility	2.04e-01 g/L
LogP	1.2

Physical description & handling notes

• Solid
• Prisms from methanol, acetone
• Shiny crystals from benzene
• 172 °C with some decomposition
• Soluble in ethanol, acetone
• Freely soluble in alcohol, acetone

Documented Uses

• METHYLERGONOVINE IS NOT /A/ NATURAL ERGOT ALKALOID. IT IS SYNTHESIZED FROM LYSERGIC ACID BY /THE/ SAME PROCEDURE AS THAT EMPLOYED FOR ERGONOVINE...EXCEPT THAT (+)-2-AMINO-1-BUTANOL IS USED TO FURNISH PEPTIDE MOIETY.
• THE BASE, DISSOLVED IN SUITABLE SOLVENT, READILY YIELDS OFFICIAL MALEATE BY REACTION WITH EQUIMOLAR QUANTITY OF MALEIC ACID. /MALEATE/
• Preparation: A. Stoll, A. Hofmann, US 2265207 (1941 to Sandoz).
• For the prevention and control of excessive bleeding following vaginal childbirth
• Breast Feeding; Lactation; Milk, Human; Ergot Alkaloids; Oxytocics
• For routine management after delivery of the placenta; postpartum atony and hemorrhage; subinvolution. Under full obstetric supervision, it may be given in the second stage of labor following delivery of the anterior shoulder. /Included in US product label/

Synonyms

methylergonovine; Methylergometrine; Methylergobasin; Methylergobasine; Methylergobrevin; Methylergometrin; Methylergonovin; 113-42-8; Partergin; Basofortina; Ergotyl; Metilergometrina; Methergin; Methylergometrinum; Ergometrine, methyl-; D-Lysergic acid-(+)-butanolamide-(2)

Frequently Asked Questions

What are the CAS number and molecular formula of methylergometrine?

CAS 113-42-8; molecular formula C20H25N3O2; molecular weight — g/mol.

What other names is methylergometrine known by?

methylergonovine, Methylergometrine, Methylergobasin, Methylergobasine, Methylergobrevin, Methylergometrin.

What are the key physical properties of methylergometrine?

Melting Point: 172; Melting Point: 172 °C; Solubility: 25; Solubility: 2.04e-01 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.