Brivudine supplier | CasNO.69304-47-8

Name
Brivudine
EINECS 1806241-263-5
CAS No. 69304-47-8
Article Data21
CAS DataBase
Density 1.857 g/cm³
Solubility Soluble in water and methanol.
Melting Point 165 °C
Formula C₁₁H₁₃BrN₂O₅
Boiling Point 382.9ºC at 760 mmHg
Molecular Weight 333.139
Flash Point 185.4ºC
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Uridine,5-(2-bromoethenyl)-2'-deoxy-, (E)-;(E)-5-(2-Bromovinyl)-2'-deoxyuridine;(E)-5-(2-Bromovinyl)deoxyuridine;(E)-5-O-(2-bromoethenyl)-2'-deoxyuridine;5-[(E)-2-Bromoethenyl]-2'-deoxyuridine;Bromovinyldeoxyuridine;Helpin;
PSA 104.55000
LogP -0.45710

Brivudine Specification

The Brivudine, with the CAS registry number 69304-47-8, is also known as Bromovinyldeoxyuridine. It belongs to the classification codes Anti-Infective Agents; Antiviral Agents; Drug / Therapeutic Agent; Mutation Data. This chemical's molecular formula is C₁₁H₁₃BrN₂O₅ and molecular weight is 333.14. What's more, its IUPAC name is called 5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione. It should be stored in a cool, dry and well-ventilated place. Brivudine is an antiviral drug used in the treatment of herpes zoster.

Physical properties about Brivudine are: (1)ACD/LogP: -0.801; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.80; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.73; (8)ACD/KOC (pH 7.4): 7.83; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 99.1 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 69.982 cm³; (15)Molar Volume: 179.359 cm³; (16)Polarizability: 27.743×10^-24cm³; (17)Surface Tension: 87.831 dyne/cm; (18)Density: 1.857 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: Br[C@H]=CC=1C(=O)NC(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](O)C2)CO
(2) InChI: InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
(3) InChIKey: ODZBBRURCPAEIQ-PIXDULNESA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1420mg/kg (1420mg/kg)		Chemioterapia Antimicrobica. Vol. 4, Pg. 70, 1981.

Product Name

Brivudine

Brivudine Specification

Related Products

Hot Products