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Name
4-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylpentan-1-aminium hydrogen sulfate
- EINECS
- CAS No. 101651-96-1
- Density
- Solubility
- Melting Point
- Formula C19H24ClN5O2•H2O4S
- Boiling Point
- Molecular Weight 488.01
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. See also SULFATES. 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-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate Chemical Properties
Molecular structure of 7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate (CAS NO.101651-96-1) is:
Product Name: 7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate
CAS Registry Number: 101651-96-1
IUPAC Name: 4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-dimethylazanium ; hydrogen sulfate
Molecular Weight: 459.90448 [g/mol]
Molecular Formula: C17H22ClN5O6S
H-Bond Donor: 3
H-Bond Acceptor: 8
Canonical SMILES: CC(CCC[NH+](C)C)N1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O.OS(=O)(=O)[O-]
InChI: InChI=1S/C17H20ClN5O2.H2O4S/c1-10(5-4-8-22(2)3)23-13-7-6-11(18)9-12(13)19-14-15(23)20-17(25)21-16(14)24;1-5(2,3)4/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24,25);(H2,1,2,3,4)
InChIKey: CKNQJRCNEDWFEE-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 28mg/kg (28mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 120mg/kg (120mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| rat | LD50 | intraperitoneal | 55mg/kg (55mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. See also SULFATES. When heated to decomposition it emits very toxic fumes of SOx, NOx and Cl−.
7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate Specification
7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate , its cas register number is 101651-96-1. It also can be called Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate .
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