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3736-86-5

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Basic Information
CAS No.: 3736-86-5
Name: TRENTADIL HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 3736-86-5 (TRENTADIL HYDROCHLORIDE )
Formula: C20H27N5O3•ClH
Molecular Weight: 421.98
Hazard Symbols: 3
Safety: Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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    TRENTADIL HYDROCHLORIDE 3736-86-5

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    Bamifyllinehydrochloride[USAN];Bamifyllinehydrochloride;1H-Purine-2,6-dione,7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenyl…

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Chemistry

Molecular Formula of Bamifylline hydrochloride (CAS NO.3736-86-5): C20H28ClN5O3
Molecular Weight: 421.92102 g/mol
Structure of Bamifylline hydrochloride (CAS NO.3736-86-5):
                        
IUPAC Name: 8-Benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride
Canonical SMILES: CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl
InChI: InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H
InChIKey: PDBXHPORMXSXKO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1139 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.
2.    

ipr-rat LD50:131 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.
3.    

ivn-rat LD50:64,800 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.
4.    

orl-mus LD50:246 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.
5.    

ipr-mus LD50:89,400 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.
6.    

ivn-mus LD50:66,800 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),460.

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition Bamifylline hydrochloride (CAS NO.3736-86-5) emits very toxic fumes of NOx and HCl.

Specification

 Bamifylline hydrochloride , its cas register number is 3736-86-5. It also can be called Trentadil ; Benzetamophylline hydrochloride ; and Bamiphylline hydrochloride .