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Name
3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethyl-2-hydroxypropan-1-aminium hydrogen sulfate
- EINECS
- CAS No. 101651-90-5
- Density
- Solubility
- Melting Point
- Formula C17H20ClN5O3•H2O4S
- Boiling Point
- Molecular Weight 475.95
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous, intravenous, and intramuscular routes. 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-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate Chemical Properties
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
7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate 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. |
7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate Safety Profile
Poison by intraperitoneal, subcutaneous, intravenous, and intramuscular routes. When heated to decomposition it emits very toxic fumes of SOx, NOx, and Cl−.
7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate 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 .
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