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Basic Information
CAS No.: 101652-01-1
Name: 4-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethylpentan-1-aminium chloride
Molecular Structure:
Molecular Structure of 101652-01-1 (4-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethylpentan-1-aminium chloride)
Formula: C19H23 Cl2 N5 O2 . Cl H
Molecular Weight: 460.83
Synonyms: Benzo[g]pteridine-2,4(3H,10H)-dione,7,8-dichloro-10-[4-(diethylamino)-1-methylbutyl]-, monohydrochloride (9CI)
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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  • Benzo[g]pteridine-2,4(3H,10H)-dione,7,8-dichloro-10-[4-(diethylamino)-1-methylbutyl]-, hydrochloride (1:1)

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    101652-01-1

    Benzo[g]pteridine-2,4(3H,10H)-dione,7,8-dichloro-10-[4-(diethylamino)-1-methylbutyl]-, hydrochloride (1:1)

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    Appearance:liquid Storage:Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials. Package:Grams, Kilograms Application:For R&D and commerical use Transportati

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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

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.