-
Name
3-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-diethyl-2-hydroxypropan-1-aminium hydrogen sulfate
- EINECS
- CAS No. 93405-68-6
- Density
- Solubility
- Melting Point
- Formula C17H19 Cl2 N5 O6 S
- Boiling Point
- Molecular Weight 510.39
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of SOx, Cl−, and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Isoalloxazine,7,8-dichloro-10-[3-(diethylamino)-2-hydroxypropyl]-, sulfate (7CI)
- PSA
- LogP
7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate Chemical Properties
IUPAC Name: [3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogen sulfate
Synonyms of 7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate (CAS NO.93405-68-6): Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate
CAS NO: 93405-68-6
Molecular Formula: C17H21Cl2N5O7S
Molecular Weight: 510.3489
Molecular Structure : .png)
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 74.57 Å2
InChI: InChI=1/C17H19Cl2N5O3.H2O4S/c1-3-23(4-2)7-9(25)8-24-13-6-11(19)10(18)5-12(13)20-14-15(24)21-17(27)22-16(14)26;1-5(2,3)4/h5-6,9,25H,3-4,7-8H2,1-2H3,(H,22,26,27);(H2,1,2,3,4)
InChIKey: ZYQRAKBBYCLATO-UHFFFAOYAR
Std. InChI: InChI=1S/C17H19Cl2N5O3.H2O4S/c1-3-23(4-2)7-9(25)8-24-13-6-11(19)10(18)5-12(13)20-14-15(24)21-17(27)22-16(14)26;1-5(2,3)4/h5-6,9,25H,3-4,7-8H2,1-2H3,(H,22,26,27);(H2,1,2,3,4)
Std. InChIKey: ZYQRAKBBYCLATO-UHFFFAOYSA-N
7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 75mg/kg (75mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 74mg/kg (74mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| rat | LD50 | intraperitoneal | 18mg/kg (18mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate Safety Profile
Poison by intraperitoneal, intravenous, and subcutaneous routes. When 7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate (CAS NO.93405-68-6) is heated to decomposition, it emits very toxic fumes of SOx, Cl−, and NOx.
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