CAS No.550-33-4,NEBULARINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	550-33-4
Name:	NEBULARINE
Article Data:	26

Formula:	C10H12 N4 O4
Molecular Weight:	252.23
Synonyms:	Purineriboside (5CI); 9-b-D-Ribofuranosyl-9H-purine; 9-b-D-Ribofuranosylpurine; 9-b-D-Ribosyl-9H-purine; Isopurine, ribosyl-; NSC 65423; Nebularine;Purine-9-b-D-ribofuranoside; Purinosine;Ribosylpurine
Density:	1.91g/cm³
Melting Point:	181-182°C
Boiling Point:	591.6°Cat760mmHg
Flash Point:	311.6°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	Poison by intravenous and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	113.52000
LogP:	-1.56220

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Chemistry

Molecule structure of Ribosylpurine (CAS NO.550-33-4):

IUPAC Name: (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
Molecular Weight: 252.22668 g/mol
Molecular Formula: C₁₀H₁₂N₄O₄
Density: 1.91 g/cm³
Melting Point: 181-182 °C
Boiling Point: 591.6 °C at 760 mmHg
Flash Point: 311.6 °C
Index of Refraction: 1.837
Molar Refractivity: 58.04 cm³
Molar Volume: 131.3 cm³
Polarizability: 23.01×10^-24 cm³
Surface Tension: 90.8 dyne/cm
Enthalpy of Vaporization: 92.8 kJ/mol
Vapour Pressure: 7.71E-15 mmHg at 25 °C
XLogP3: -0.7
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 2
Exact Mass: 252.085855
MonoIsotopic Mass: 252.085855
Topological Polar Surface Area: 114
Heavy Atom Count: 18
Complexity: 308
Defined Atom StereoCenter Count: 4
Canonical SMILES: C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
Isomeric SMILES: C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
InChIKey: MRWXACSTFXYYMV-FDDDBJFASA-N
EINECS: 208-981-9
Product Categories: Sugars, Carbohydrates & Glucosides; Bases & Related Reagents; Nucleotides
Storage Temp.: 2-8 °C

Uses

Ribosylpurine (CAS NO.550-33-4) is shown to have inhibitory effects against mouse Sarcoma 180 and mycobacteria.

Toxicity Data With Reference

1.	scu-rat LD50:220 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 14 (1955),391.
2.	scu-mus LD50:200 mg/kg	85GDA2 CRC Handbook of Antibiotic Compounds. 5 (1981),289.
3.	ivn-mus LD50:50 mg/kg	85GDA2 CRC Handbook of Antibiotic Compounds. 5 (1981),289.
4.	scu-gpg LD50:15 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 14 (1955),391.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RTECS: UO9100000
Poison by intravenous and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.

Specification

Ribosylpurine (CAS NO.550-33-4) is also named as 4-26-00-01740 (Beilstein Handbook Reference) ; 9-(beta-D-Ribofuranosyl)purine ; 9-Purine ribonucleoside ; 9-beta-D-Ribofuranosyl-9H-purine ; 9-beta-Ribofuranosylpurine ; 9H-Purine, 9-beta-D-ribofuranosyl- ; 9H-Purine, 9beta-D-ribofuranosyl- ; BRN 0091539 ; Isopurine, ribosyl- ; L 534857-0-2 ; NSC 65423 ; Nebularin(E) ; Nebularine ; Purine ribonucleoside ; Purine riboside ; Purine, ribosyl- ; Purinosine . Ribosylpurine (CAS NO.550-33-4) is crystalline solid.