马来酸甲基麦角新碱

Description

methylergonovine maleate · CAS 57432-61-8 · C24H29N3O6. UNII IR84JPZ1RK.

Identification

CAS Registry Number	57432-61-8
PubChem CID	5281072
Molecular formula	C24H29N3O6
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;(Z)-but-2-enedioic acid
UNII (FDA)	IR84JPZ1RK

Computed Descriptors

Molecular Weight	455.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	455.20563565
Monoisotopic Mass	455.20563565
Topological Polar Surface Area	143
Heavy Atom Count	33
Formal Charge	0
Complexity	668

Physical description & handling notes

• 183.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H301 (100%), H311 (88.9%), H331 (88.9%), H361 (91.1%), H362 (11.1%)

Documented Uses

• Breast Feeding; Lactation; Milk, Human; Ergot Alkaloids; Oxytocics
• 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)
• Ergolines [CS]; Ergot Derivative [EPC]
• Hepatic, with extensive first-pass metabolism. Route of Elimination: Ergot alkaloids are mostly eliminated by hepatic metabolism and excretion, and the decrease in bioavailability following oral administration is probably a result of first-pass metabolism in the liver. Half Life: 3.39 hours

Synonyms

Methylergonovine maleate; 57432-61-8; Methergine; Maleic acid, methyl ergonovine; IR84JPZ1RK; NSC-757104; DTXSID1023283; Methylergonovine maleate (USP); Methylergonovine maleate [USP]; NSC186067; RefChem:55614; DTXCID901476300; 260-734-4; Methylergometrine maleate; Methyl Ergonovine Maleate Salt; Methylergometrine (maleate)

Frequently Asked Questions

What are the CAS number and molecular formula of methylergonovine maleate?

CAS 57432-61-8; molecular formula C24H29N3O6; molecular weight — g/mol.

What other names is methylergonovine maleate known by?

Methylergonovine maleate, 57432-61-8, Methergine, Maleic acid, methyl ergonovine, IR84JPZ1RK, NSC-757104.

Is methylergonovine maleate classified as hazardous?

Hazard statements reported: H301, H311, H331, H361, H362.

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.