-
Name
3-(6,7-dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N-ethyl-N-(2-hydroxyethyl)propan-1-aminium hydrogen sulfate
- EINECS
- CAS No. 101652-05-5
- Density
- Solubility
- Melting Point
- Formula C17H19Cl2N5O3•H2O4S
- Boiling Point
- Molecular Weight 510.39
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. See also SULFATES and CHLORIDES. When heated to decomposition it emits very toxic fumes of SOx, Cl−, and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate Chemical Properties
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IUPAC: 3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium; hydrogen sulfate
Molecular Formula: C17H21Cl2N5O7S
Molecular Weight: 510.348940 g/mol
Canonical SMILES: n1(c2c(nc3c([nH]c(nc13)=O)=O)c(c(Cl)cc2)Cl)CCC[N@@H+](CCO)CC.S(O)(=O)(=O)[O-]
InChI: InChI=1/C17H19Cl2N5O3.H2O4S/c1-2-23(8-9-25)6-3-7-24-11-5-4-10(18)12(19)13(11)20-14-15(24)21-17(27)22-16(14)26;1-5(2,3)4/h4-5,25H,2-3,6-9H2,1H3,(H,22,26,27);(H2,1,2,3,4)
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 509.053874
MonoIsotopic Mass: 509.053874
Topological Polar Surface Area: 176
Heavy Atom Count: 32
Complexity: 733
Classification Code of Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate (CAS NO.101652-05-5): Drug / Therapeutic Agent
Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 90mg/kg (90mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 38mg/kg (38mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| rat | LD50 | intraperitoneal | 30mg/kg (30mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. See also SULFATES and CHLORIDES. When heated to decomposition Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate (CAS NO.101652-05-5) emits very toxic fumes of SOx, Cl−, and NOx.
Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate Specification
Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate (CAS NO.101652-05-5) can be called 6,7-Dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)isoalloxazine sulfate ; CID58677 ; LS-84315 .
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