-
Name
2-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethanaminium hydrogen sulfate
- EINECS
- CAS No. 101652-02-2
- Density g/cm3
- Solubility
- Melting Point
- Formula C14H13Cl2N5O2•H2O4S
- Boiling Point °Cat760mmHg
- Molecular Weight 452.30
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by subcutaneous and intravenous routes. See also SULFATES and CHLORIDES. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
7,8-Dichloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Chemical Properties
IUPAC Name: 2-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-dimethylazanium; hydrogen sulfate
Synonyms of 7,8-Dichloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate (CAS NO.101652-02-2): Isoalloxazine, 7,8-dichloro-10-(2-(dimethylamino)ethyl)-, sulfate
CAS NO: 101652-02-2
Molecular Formula: C14H15Cl2N5O6S
Molecular Weight: 452.2698
Molecular Structure : .png)
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 65.34 Å2
InChI: InChI=1/C14H13Cl2N5O2.H2O4S/c1-20(2)3-4-21-10-6-8(16)7(15)5-9(10)17-11-12(21)18-14(23)19-13(11)22;1-5(2,3)4/h5-6H,3-4H2,1-2H3,(H,19,22,23);(H2,1,2,3,4)
InChIKey: ILWSCPUNIIYEBG-UHFFFAOYAL
Std. InChI: InChI=1S/C14H13Cl2N5O2.H2O4S/c1-20(2)3-4-21-10-6-8(16)7(15)5-9(10)17-11-12(21)18-14(23)19-13(11)22;1-5(2,3)4/h5-6H,3-4H2,1-2H3,(H,19,22,23);(H2,1,2,3,4)
Std. InChIKey: ILWSCPUNIIYEBG-UHFFFAOYSA-N
7,8-Dichloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 18mg/kg (18mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 30mg/kg (30mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7,8-Dichloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate Safety Profile
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