Metergoline? , ≥99% , 17692-51-2

Synonym(s):
[(8β)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester;N-CBZ-[(8β)-1,6-Dimethylergolin-8-yl]methylamine

CAS NO.：17692-51-2

Empirical Formula: C25H29N3O2

Molecular Weight: 403.52

MDL number: MFCD00153829

EINECS: 241-686-3

PRODUCT Properties

• Melting point: 148-150 °C(lit.)
• alpha: D28 -7 ±2°
• Boiling point: 612.5±55.0 °C(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• storage temp.: −20°C
• solubility: 0.1 M HCl: 1.4 mg/mL
• pka: 12.45±0.46(Predicted)
• form: solid
• color: White
• Merck: 13,5962
• Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethaqnol may be stored at -20°C for up to 2 month.
• InChIKey: WZHJKEUHNJHDLS-QTGUNEKASA-N
• SMILES: C12=C3C=CC=C1[C@@]1([H])C[C@H](CN(C)[C@]1([H])CC2=CN3C)CNC(=O)OCC1C=CC=CC=1 |&1:6,9,13,r|
• SMILES: [H][C@]2(CNC(=O)OCc1ccccc1)CN(C)[C@]3([H])Cc4cn(C)c5cccc(c45)[C@@]3([H])C2
• CAS DataBase Reference: 17692-51-2(CAS DataBase Reference)

Description and Uses

Metergoline (17692-51-2) is an ergot alkaloid derivative acting as antagonist at serotonin 5HT1 and 5HT2 receptors1,2 and 5HT7 receptors3. A safe and effective agent for management of hyperprolactinemic amenorrhea and anovulation.4 Displays a long-lasting antidepressant effect in seasonal affective disorder.5

Metergoline is an antagonist at 5-HT1, 5-HT2, and 5-HT7 serotonin receptors. Metergoline is an analgesic; antipyretic.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332
• Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
• PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 20/21/22
• Safety Statements: 36
• WGK Germany: 3
• RTECS: FA1070000
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Dermal; Acute Tox. 4 Inhalation; Acute Tox. 4 Oral
• Toxicity: LD50 in mice (mg/kg): 85 i.p., 430 orally; in rats (mg/kg): >800 orally (Beretta)