-
Name
3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylpropan-1-aminium chloride
- EINECS
- CAS No. 101651-97-2
- Density
- Solubility
- Melting Point
- Formula C15H16 Cl N5 O2 . Cl H
- Boiling Point
- Molecular Weight 370.27
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzo[g]pteridine-2,4(3H,10H)-dione,7-chloro-10-[3-(dimethylamino)propyl]-, monohydrochloride (9CI)
- PSA
- LogP
7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Chemical Properties
Molecular structure of 7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride (CAS NO.101651-97-2) is:
Product Name: 7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride
CAS Registry Number: 101651-97-2
IUPAC Name: 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazanium chloride
Molecular Weight: 370.23378 [g/mol]
Molecular Formula: C15H17Cl2N5O2
H-Bond Donor: 2
H-Bond Acceptor: 5
Canonical SMILES: C[NH+](C)CCCN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O.[Cl-]
InChI: InChI=1S/C15H16ClN5O2.ClH/c1-20(2)6-3-7-21-11-5-4-9(16)8-10(11)17-12-13(21)18-15(23)19-14(12)22;/h4-5,8H,3,6-7H2,1-2H3,(H,19,22,23);1H
InChIKey: RRYSRSXQPSOVMQ-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 70mg/kg (70mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | intravenous | 60mg/kg (60mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | oral | 1250mg/kg (1250mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 24mg/kg (24mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride Specification
7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride , its cas register number is 101651-97-2. It also can be called Isoalloxazine, 7-chloro-10-(3-(dimethylamino)propyl)-, hydrochloride .
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