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52175-10-7

Basic Information
CAS No.: 52175-10-7
Name: Adenine phosphate
Molecular Structure:
Molecular Structure of 52175-10-7 (Adenine phosphate)
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: C5H8N5O4
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 .