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35543-24-9

Basic Information
CAS No.: 35543-24-9
Name: 1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride
Molecular Structure:
Molecular Structure of 35543-24-9 (1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride)
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
Synthetic route
621-23-8

1,2,3-trimethoxybenzene

713069-87-5

4-(pyrrolidin-1-yl)butanoyl chloride

35543-24-9

Buflomedil hydrochloride

Conditions
ConditionsYield
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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Chemistry

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

Uses

 Buflomedil hydrochloride (CAS NO.35543-24-9) is a drug for cerebrovascular expansion

Toxicity Data With Reference

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 Profile

Safety Information of Buflomedil hydrochloride (CAS NO.35543-24-9):
K Germany: 3
RTECS: EL9885000

Specification

 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 .