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101651-90-5

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Basic Information
CAS No.: 101651-90-5
Name: 3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethyl-2-hydroxypropan-1-aminium hydrogen sulfate
Molecular Structure:
Molecular Structure of 101651-90-5 (3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethyl-2-hydroxypropan-1-aminium hydrogen sulfate)
Formula: C17H20ClN5O3•H2O4S
Molecular Weight: 475.95
Safety: Poison by intraperitoneal, subcutaneous, intravenous, and intramuscular routes. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−.
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    7-CHLORO-10-(3-(DIETHYLAMINO)-2-HYDROXY PROPYL)ISOALLOXAZINE SULFATE

    Min.Order: 10 Gram

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • [3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogensulfate

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    101651-90-5

    [3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogensulfate

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Chemistry

Molecular structure of 7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate (CAS NO.101651-90-5) is:

Product Name: 7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate
CAS Registry Number: 101651-90-5
IUPAC Name: [3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogen sulfate
Molecular Weight: 475.90388 [g/mol]
Molecular Formula: C17H22ClN5O7S
H-Bond Donor: 4
H-Bond Acceptor: 9 
Canonical SMILES: CC[NH+](CC)CC(CN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O)O.OS(=O)(=O)[O-]
InChI: InChI=1S/C17H20ClN5O3.H2O4S/c1-3-22(4-2)8-11(24)9-23-13-6-5-10(18)7-12(13)19-14-15(23)20-17(26)21-16(14)25;1-5(2,3)4/h5-7,11,24H,3-4,8-9H2,1-2H3,(H,21,25,26);(H2,1,2,3,4)
InChIKey: XUEIYTBYODJVMT-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 54mg/kg (54mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intravenous 132mg/kg (132mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 48mg/kg (48mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.

Safety Profile

Poison by intraperitoneal, subcutaneous, intravenous, and intramuscular routes. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−.

Specification

 7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate , its cas register number is 101651-90-5. It also can be called Isoalloxazine, 7-chloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate .