-
Name
3-(7,8-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylpropan-1-aminium chloride
- EINECS
- CAS No. 97864-38-5
- Density g/cm3
- Solubility
- Melting Point
- Formula C15H15Cl2N5O2•ClH
- Boiling Point °Cat760mmHg
- Molecular Weight 404.71
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Chemical Properties
IUPAC Name: 3-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazanium chloride
Synonyms of 7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride (CAS NO.97864-38-5): Isoalloxazine, 7,8-dichloro-10-(3-(dimethylamino)propyl)-, hydrochloride
CAS NO: 97864-38-5
Molecular Formula: C15H16Cl3N5O2
Molecular Weight: 404.6788
Molecular Structure : .png)
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 65.34 Å2
InChI: InChI=1/C15H15Cl2N5O2.ClH/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23;/h6-7H,3-5H2,1-2H3,(H,20,23,24);1H
InChIKey: HNRHHFLHZSXOJL-UHFFFAOYAF
Std. InChI: InChI=1S/C15H15Cl2N5O2.ClH/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23;/h6-7H,3-5H2,1-2H3,(H,20,23,24);1H
Std. InChIKey: HNRHHFLHZSXOJL-UHFFFAOYSA-N
7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 34mg/kg (34mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 23mg/kg (23mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| rat | LD50 | intraperitoneal | 22mg/kg (22mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. When 7,8-Dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride (CAS NO.97864-38-5) is heated to decomposition, it emits very toxic fumes of NOx and Cl−.
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