IUPAC Name: 4-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-diethylazanium chloride
Synonyms of 7,8-Dichloro-10-(4-(diethylamino)-1-methylbutyl)isoalloxazine hydrochloride (CAS NO.101652-01-1): Isoalloxazine, 7,8-dichloro-10-(4-(diethylamino)-1-methylbutyl)-, hydrochloride
CAS NO: 101652-01-1
Molecular Formula: C19H24Cl3N5O2
Molecular Weight: 460.7852
Molecular Structure :
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 65.34 Å2
InChI: InChI=1/C19H23Cl2N5O2.ClH/c1-4-25(5-2)8-6-7-11(3)26-15-10-13(21)12(20)9-14(15)22-16-17(26)23-19(28)24-18(16)27;/h9-11H,4-8H2,1-3H3,(H,24,27,28);1H
InChIKey: KIXBRGHXUGVHFX-UHFFFAOYAS
Std. InChI: InChI=1S/C19H23Cl2N5O2.ClH/c1-4-25(5-2)8-6-7-11(3)26-15-10-13(21)12(20)9-14(15)22-16-17(26)23-19(28)24-18(16)27;/h9-11H,4-8H2,1-3H3,(H,24,27,28);1H
Std. InChIKey: KIXBRGHXUGVHFX-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 48mg/kg (48mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
mouse | LD50 | subcutaneous | 18mg/kg (18mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
Poison by subcutaneous and intravenous routes. When 7,8-Dichloro-10-(4-(diethylamino)-1-methylbutyl)isoalloxazine hydrochloride (CAS NO.101652-01-1) is heated to decomposition, it emits very toxic fumes of HCl and NOx.
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