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Name
1-[3-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2-hydroxypropyl]piperidinium hydrogen sulfate
- EINECS
- CAS No. 101652-00-0
- Density
- Solubility
- Melting Point
- Formula C18H20ClN5O3•H2O4S
- Boiling Point
- Molecular Weight 487.96
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal, subcutaneous and intravenous routes. See also SULFATES. 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
7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate Chemical Properties
Molecular structure of 7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate (CAS NO.101652-00-0) is:
Product Name: 7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate
CAS Registry Number: 101652-00-0
IUPAC Name: 7-chloro-10-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)benzo[g]pteridine-2,4-dione; hydrogen sulfate
Molecular Weight: 487.91458 [g/mol]
Molecular Formula: C18H22ClN5O7S
H-Bond Donor: 4
H-Bond Acceptor: 9
Canonical SMILES: C1CC[NH+](CC1)CC(CN2C3=C(C=C(C=C3)Cl)N=C4C2=NC(=O)NC4=O)O.OS(=O)(=O)[O-]
InChI: InChI=1S/C18H20ClN5O3.H2O4S/c19-11-4-5-14-13(8-11)20-15-16(21-18(27)22-17(15)26)24(14)10-12(25)9-23-6-2-1-3-7-23;1-5(2,3)4/h4-5,8,12,25H,1-3,6-7,9-10H2,(H,22,26,27);(H2,1,2,3,4)
InChIKey: CYZUIPUWEKTBMK-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 115mg/kg (115mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| mouse | LD50 | subcutaneous | 60mg/kg (60mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. | |
| rat | LD50 | intraperitoneal | 38mg/kg (38mg/kg) | Chemotherapia. Vol. 2, Pg. 96, 1961. |
7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate Safety Profile
Poison by intraperitoneal, subcutaneous and intravenous routes. See also SULFATES. When heated to decomposition it emits very toxic fumes of SOx, Cl−, and NOx.
7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate Specification
7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate , its cas register number is 101652-00-0. It also can be called Isoalloxazine, 7-chloro-10-(2-hydroxy-3-piperidinopropyl)-, sulfate .
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