Molsidomine (25717-80-0),Molsidomine (25717-80-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Molsidomine
CAS No.:
25717-80-0
Molecular Structure:
Formula:
C₉H₁₄N₄O₄
Molecular Weight:
242.27
Synonyms:
Sydnoneimine, N-(ethoxycarbonyl)-3-(4-morpholinyl)-;Sydnone imine, N-carboxy-3-morpholino-,ethyl ester (8CI);CAS 276;Corraton;Coruno;Corvasal;Corvaton;Molsidolat;1,2,3-Oxadiazolium,5-[(ethoxycarbonyl)amino]-3-(4-morpholinyl)-, inner salt;Morial;Morsydomine;Motazomin;N-(Ethoxycarbonyl)-3-morpholinosydnone imine;N-Ethoxycarbonyl-3-morpholinosydnonimine;SIN 10;SIN 10 (pharmaceutical);Sydnopharm;
EINECS:
247-207-4
Melting Point:
140-141 °C
Appearance:
colorless or white crystalline powder
Hazard Symbols:
Xn
Risk Codes:
22
Safety Description:
36 Details

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Chemistry

Structure of Molsidomine (CAS NO.25717-80-0):

IUPAC Name: (1E)-1-Ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
Molecular Formula: C₉H₁₄N₄O₄Molar mass: 242.2319 g/mol
Melting Point: 140-141 °C
Storage Temp.: 2-8 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Exact Mass: 242.101505
MonoIsotopic Mass: 242.101505
Topological Polar Surface Area: 87
Heavy Atom Count: 17
Canonical SMILES: CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
Isomeric SMILES: CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]
InChI: InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3
InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N
EINECS: 247-207-4
Product Categories: Nitric Oxide

Uses

Molsidomine (CAS NO.25717-80-0) is an orally active, long acting vasodilating drug. It is metabolized in the liver to the active metabolite SIN-1. Molsidomine is applicable in the treatment of angina pectoris, myocardial infarction (acute phase excluded), chronic conditions such as coronary insufficiency.

Toxicity Data With Reference

1.	orl-rat LD50:1050 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),858.
2.	ipr-rat LD50:1250 mg/kg	MEIEDD Merck Index. 10 (1983),892.
3.	scu-rat LD50:1360 mg/kg	MEIEDD Merck Index. 10 (1983),892.
4.	ivn-rat LD50:800 mg/kg	MEIEDD Merck Index. 10 (1983),892.
5.	orl-mus LD50:830 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),858.

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: WU7677400
Moderately toxic by ingestion, intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.

Specification

Molsidomine (CAS NO.25717-80-0) also can be called BRN 3999414 ; Corvaton ; Covarsal ; Molsidolat ; Molsidomina ; Molsidomina [INN-Spanish] ; Molsidominum ; Molsidominum [INN-Latin] ; Morial ; Morsydomine ; Motazomin ; N-(Ethoxycarbonyl)-3-(4-morpholinyl)sydnone imine ; N-Carboxy-3-morpholinosydnone imine ethyl ester ; N-Carboxy-3-morpholinosydnonimine ethyl ester ; N-Ethoxycarbonyl-3-morpholinosydnonimine ; SIN-10 ; UNII-D46583G77X . Molsidomine (CAS NO.25717-80-0) is colorless or white crystalline powder. It is easily soluble in chloroform, soluble in dilute hydrochloric acid, ethanol, ethyl acetate, insoluble in water, benzene, acetone and extremely difficult soluble in ether.