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