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97864-38-5

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Basic Information
CAS No.: 97864-38-5
Name: 3-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylpropan-1-aminium chloride
Molecular Structure:
Molecular Structure of 97864-38-5 (3-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylpropan-1-aminium chloride)
Formula: C15H15Cl2N5O2•ClH
Molecular Weight: 404.71
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
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  • 3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazaniumchloride

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    97864-38-5

    3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazaniumchloride

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Chemistry

IUPAC Name: 3-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazanium chloride
Synonyms of 7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride (CAS NO.97864-38-5): Isoalloxazine, 7,8-dichloro-10-(3-(dimethylamino)propyl)-, hydrochloride
CAS NO: 97864-38-5
Molecular Formula: C15H16Cl3N5O2
Molecular Weight: 404.6788
Molecular Structure :
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 65.34 Å2
InChI: InChI=1/C15H15Cl2N5O2.ClH/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23;/h6-7H,3-5H2,1-2H3,(H,20,23,24);1H
InChIKey: HNRHHFLHZSXOJL-UHFFFAOYAF
Std. InChI: InChI=1S/C15H15Cl2N5O2.ClH/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23;/h6-7H,3-5H2,1-2H3,(H,20,23,24);1H
Std. InChIKey: HNRHHFLHZSXOJL-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 23mg/kg (23mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 22mg/kg (22mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.

Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. When 7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride (CAS NO.97864-38-5) is heated to decomposition, it emits very toxic fumes of NOx and Cl−.