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Name
2-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethanaminium hydrogen sulfate
- EINECS
- CAS No. 101651-94-9
- Density g/cm3
- Solubility
- Melting Point
- Formula C14H14ClN5O2•H2O4S
- Boiling Point °Cat760mmHg
- Molecular Weight 417.86
- Flash Point °C
- Transport Information
- Appearance
- 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
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
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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