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CAS No.: | 35543-24-9 |
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Name: | 1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride |
Molecular Structure: | |
Formula: | C17H25NO4.HCl |
Molecular Weight: | 343.851 |
Synonyms: | 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride;Fonzylane;Irrodan R;Prestwick_782;LL 1656;1-Butanone,4-(1-pyrrolidinyl)-1-(2,4,6- trimethoxyphenyl)-,hydrochloride;Buflomedil HCl;1-[3-(2,4,6-trimethoxybenzoyl)propyl]pyrrolidinium chloride;A-48257; |
EINECS: | 252-611-9 |
Melting Point: | 192-193° |
Boiling Point: | 454.5 °C at 760 mmHg |
Flash Point: | 228.7 °C |
Appearance: | White or off-white crystalline powder |
PSA: | 48.00000 |
LogP: | 3.51100 |
1,2,3-trimethoxybenzene
4-(pyrrolidin-1-yl)butanoyl chloride
Buflomedil hydrochloride
Conditions | Yield |
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Stage #1: 1,2,3-trimethoxybenzene; 4-(pyrrolidin-1-yl)butanoyl chloride With zinc(II) chloride In dichloromethane at 0 - 5℃; for 2h; Reflux; Stage #2: With hydrogenchloride In ethanol at 60 - 70℃; for 1h; | 60.2 g |
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Product Name: Buflomedil hydrochloride (CAS NO.35543-24-9)
Molecular Formula: C17H25NO4.HCl
Molecular Weight: 343.85g/mol
Mol File: 35543-24-9.mol
EINECS: 252-611-9
Boiling point: 454.5 °C at 760 mmHg
Flash Point: 228.7 °C
Enthalpy of Vaporization: 71.41 kJ/mol
Vapour Pressure: 1.9E-08 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Buflomedil hydrochloride (CAS NO.35543-24-9):
IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride
Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CCC[NH+]2CCCC2)OC.[Cl-]
InChI: InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKey: ZDPACSAHMZADFZ-UHFFFAOYSA-N
Product Categories: APIs; API
Buflomedil hydrochloride (CAS NO.35543-24-9) is a drug for cerebrovascular expansion
1. | orl-wmn TDLo:50 mg/kg:BAH,SYS | JTCTDW Journal of Toxicology, Clinical Toxicology. 30 (1992),305. | ||
2. | orl-rat LD50:410 mg/kg:BAH,PUL | KSRNAM Kiso to Rinsho. Clinical Report. 22 (1988),401. | ||
3. | scu-rat LD50:796 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 22 (1988),401. | ||
4. | ivn-rat LD50:58,500 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 22 (1988),401. | ||
5. | orl-mus LD50:275 mg/kg | THERAP Therapie. 30 (1975),207. | ||
6. | ivn-mus LD50:55 mg/kg | THERAP Therapie. 30 (1975),207. | ||
7. | ims-mus LD50:250 mg/kg | THERAP Therapie. 30 (1975),207. | ||
8. | orl-dog LDLo:500 mg/kg | THERAP Therapie. 30 (1975),207. | ||
9. | ivn-dog LDLo:50 mg/kg | THERAP Therapie. 30 (1975),207. |
Safety Information of Buflomedil hydrochloride (CAS NO.35543-24-9):
K Germany: 3
RTECS: EL9885000
Buflomedil hydrochloride , its CAS NO. is 35543-24-9, the synonyms are 4-(1-Pyrrolidyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochloride ; Bufedil ; Buflan ; Buflomedil HCl ; Chlorhydrate de (trimethoxy-2-4-6) phenyl-(pyrrolidine-3)
propylacetone ; 1-(3-(2,4,6-Trimethoxybenzoyl)propyl)pyrrolidinium chloride ; 1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride .