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CAS No.: | 14663-23-1 |
---|---|
Name: | Dantrolene sodium salt |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C14H9N4O5Na |
Molecular Weight: | 336.239 |
Synonyms: | 2,4-Imidazolidinedione,1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-, sodium salt (9CI);Hydantoin, 1-[[5-(p-nitrophenyl)furfurylidene]amino]-, sodium salt (8CI);Dantrium;Dantrolene sodium;F 440;Sodium dantrolene; |
EINECS: | 238-706-8 |
Boiling Point: | 85°C 4mm |
Flash Point: | 283.1oC |
Appearance: | COA |
Safety: | 22-24/25 |
PSA: | 127.05000 |
LogP: | 1.71410 |
dantrolene
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 3h; | 100% |
5-(4-nitrophenyl)-2-furaldehyde
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 81 percent / H2O; dimethylformamide 2: 100 percent / CH3ONa / methanol / 3 h / 20 °C View Scheme |
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
dantrolene
Conditions | Yield |
---|---|
With acetic acid In N,N-dimethyl-formamide at 20℃; | 98% |
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 96.4% |
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
tert-butyl 4-(iodomethyl)piperidine-1-carboxylate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 51.6% |
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
di-tert-butyl chloromethyl phosphate
Conditions | Yield |
---|---|
With sodium iodide In N,N-dimethyl-formamide at 0 - 20℃; for 64h; Temperature; | 45% |
N-[(1,1-dimethylethoxy)carbonyl]glycine chloromethyl ester
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 110h; | 27% |
tert-butyl chloromethyl butanedioate
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 20h; | 20% |
1-benzyl-4-(2-hydroxyethyl)piperazine
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
Conditions | Yield |
---|---|
Stage #1: 1-benzyl-4-(2-hydroxyethyl)piperazine With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 0.333333h; Mitsunobu Displacement; Stage #2: 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt In tetrahydrofuran at 60℃; | 5.7% |
1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt
2-bromoethanol
Conditions | Yield |
---|---|
Stage #1: 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidine-dione sodium salt With potassium carbonate In tetrahydrofuran; water for 0.5h; Stage #2: 2-bromoethanol In tetrahydrofuran; water at 20℃; for 24h; |
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Molecular Structure of Dantrolene sodium salt (CAS NO.14663-23-1):
IUPAC Name: Sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
Molecular Formula: C14H9N4O5Na
Molecular Weight: 336.26g/mol
EINECS: 238-706-8
Boiling Point: 544.5 °C at 760 mmHg
Flash Point: 283.1 °C
Properties: solid
Freely Rotating Bonds: 4
Polar Surface Area: 124.22 Å2
Polarizability: 10-24 cm3
Enthalpy of Vaporization: 86.63 kJ/mol
Vapour Pressure: 1.09E-12 mmHg at 25°C
InChI
InChI=1/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;
Smiles
N1(CC([NH-]C1=O)=O)\N=C\c1oc(cc1)c1ccc(cc1)[N+](=O)[O-].[Na+]
The chemical synonyms of Dantrolene sodium salt (CAS NO.14663-23-1) are Sodium dantrolene ; Dantrium ; Dantrolene na ; Dantrolene sodium salt ; 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolinedione sodium salt ; 1-[[[5-(4-Nitrophenyl)-2-furanyl]-methylene]imino]2,4-imidazolidinedione sodium salt ; 1-[(5-[p-Nitrophenyl]furfurylidene)-amino]hydantoin sodium salt ; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoinsodium .
Product categories: Pharmacetical ; API's ; InsP3/Ryanodine receptor .The molecular structure of Dantrium
1. | orl-hmn TDLo:320 mg/kg:BAH,GIT | JAMAAP JAMA, Journal of the American Medical Association. 231 (1975),662. | ||
2. | orl-wmn LDLo:600 mg/kg:GIT,SYS | NYSJAM New York State Journal of Medicine. 77 (1977),1759. | ||
3. | orl-rat LD50:7431 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),668. | ||
4. | ipr-rat LD50:413 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),668. | ||
5. | orl-mus LD50:1188 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),327. | ||
6. | ipr-mus LD50:534 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),668. |
Moderately toxic by intraperitoneal and ingestion routes. Human systemic effects by ingestion: anorexia (human), hepatitis, nausea or vomiting, somnolence. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Na2O.
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
WGK Germany: 2
RTECS: MU3875000
In order to capture and identify key molecules that regulate the release of Ca(2+) from the sarcoplasmic reticulum (SR) of skeletal muscle, we designed specific photoaffinity probes based on the structural modification of dantrolene. Thus, GIF-0082 and GIF-0276 possessing azido- and trifluoromethyldiazirinyl-benzyl groups, respectively, at the hydantoin moiety were found to have a highly selective inhibitory effect on physiological Ca(2+) release without affecting Ca(2+)-induced Ca(2+) release (CICR). Successful realization of the sharp discrimination between PCR and CICR has led to the creation of [(125)I]GIF-0082 and [(125)I]GIF-0276, which were synthesized by substituting a stannyl group with (125)I in the corresponding phenylstannane precursors. It is a muscle relaxation drug for treatment of diseases associated with spastic paralysis.