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7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate

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Name

7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate

EINECS N/A
CAS No. 101651-94-9 Density g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C14H14ClN5O2•H2O4S Boiling Point °Cat760mmHg
Molecular Weight 417.86 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. See also SULFATES. When heated to decomposition it emits very toxic fumes of SOx, Cl, and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 101651-94-9 (2-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethanaminium hydrogen sulfate) Hazard Symbols N/A
Synonyms

N/A

 

7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Chemical Properties

Molecular structure of 7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate (CAS NO.101651-94-9) is:

Product Name: 7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate 
CAS Registry Number: 101651-94-9
IUPAC Name: 2-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-dimethylazanium ; hydrogen sulfate
Molecular Weight: 417.82474 [g/mol]
Molecular Formula: C14H16ClN5O6S
H-Bond Donor: 3
H-Bond Acceptor: 8 
Canonical SMILES: C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O.OS(=O)(=O)[O-]
InChI: InChI=1S/C14H14ClN5O2.H2O4S/c1-19(2)5-6-20-10-4-3-8(15)7-9(10)16-11-12(20)17-14(22)18-13(11)21;1-5(2,3)4/h3-4,7H,5-6H2,1-2H3,(H,18,21,22);(H2,1,2,3,4)
InChIKey: ZPQBSKATYITEBC-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent

7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 oral 1900mg/kg (1900mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 38mg/kg (38mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.

7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. See also SULFATES. When heated to decomposition it emits very toxic fumes of SOx, Cl, and NOx.

7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Specification

 7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate , its cas register number is 101651-94-9. It also can be called Isoalloxazine, 7-chloro-10-(2-(dimethylamino)ethyl)-, sulfate .

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