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| CAS No.: | 52175-10-7 |
|---|---|
| Name: | Adenine phosphate |
| Molecular Structure: | |
|
|
| Formula: | C5H5N5.H3PO4 |
| Molecular Weight: | 807.14 |
| Synonyms: | 1H-Purin-6-amine phosphate; Vitamin B4 |
| EINECS: | 257-702-7 |
| Melting Point: | 265-270°C |
| Boiling Point: | 553.5 °C at 760 mmHg |
| Flash Point: | 322.7 °C |
| Appearance: | white crystalline powder |
| Risk Codes: | R36/37/38 |
| Safety: | Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx and NOx. |
| PSA: | 168.05000 |
| LogP: | -0.41230 |
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Chemistry
Molecule structure of Adenine Phosphate (CAS NO.52175-10-7) :
IUPAC Name: phosphoric acid; 7H-purin-6-amine
Molecular Weight: 233.121881 g/mol
Molecular Formula: C5H8N5O4P
Boiling Point: 553.5 °C at 760 mmHg
Flash Point: 322.7 °C
Enthalpy of Vaporization: 83.43 kJ/mol
Vapour Pressure: 2.71E-12 mmHg at 25 °C
H-Bond Donor: 5
H-Bond Acceptor: 8
Tautomer Count: 8
Exact Mass: 233.03139
MonoIsotopic Mass: 233.03139
Topological Polar Surface Area: 158
Heavy Atom Count: 15
Complexity: 177
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)N.OP(=O)(O)O
InChI: InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)
InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYSA-N
EINECS: 257-702-7
Product Categories: Nucleic acids
Uses
Adenine Phosphate (CAS NO.52175-10-7) is used to control a variety of causes leukopenia, especially when used in cancer chemotherapy induced leukopenia.
Production
Product Categories about Adenine Phosphate (CAS NO.52175-10-7) is mainly refer to Nucleic acids.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 417mg/kg (417mg/kg) | Drugs in Japan Vol. 6, Pg. 20, 1982. | |
| mouse | LD50 | intravenous | 400mg/kg (400mg/kg) | Drugs in Japan Vol. 6, Pg. 20, 1982. | |
| mouse | LD50 | oral | 750mg/kg (750mg/kg) | Drugs in Japan Vol. 6, Pg. 20, 1982. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx and NOx.
Specification
Adenine Phosphate (CAS NO.52175-10-7) is also called Vitamine B4 ; 1H-Purin-6-amine phosphate .