Abacavir sulfate supplier | CasNO.188062-50-2

Name
Abacavir sulfate
EINECS 620-488-4
CAS No. 188062-50-2
Article Data5
CAS DataBase
Density
Solubility 1.68ug/L(32 oC)
Melting Point 222-225 °C
Formula C₂₈H₃₈N₁₂O₆S
Boiling Point 636 °C at 760 mmHg
Molecular Weight 670.74
Flash Point 338.4 °C
Transport Information
Appearance white solid
Safety 36/37
Risk Codes 63-40
Molecular Structure
Hazard Symbols Xn
Synonyms Abacavir sulfate (JAN/USAN);bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate;ABC sulfate;Abacavir sulfate [USAN];1592U89 sulfate;[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol; sulfuric acid;(component of) Trizivir;Epzicom;2-Cyclopentene-1-methanol, 4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-, sulfate (salt)(2:1), (1S,4R)-;Ziagen (TN);[(1R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol; sulfuric acid;1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol sulfate abacavir sulfate;2-Cyclopentene-1-methanol,4-[2-amino-6- (cyclopropylamino)-9H-purin-9-yl]-,(1S,- 4R)-,sulfate (2:1) (salt);
PSA 153.63000
LogP 2.65440

Abacavir sulfate Specification

1. Introduction of Abacavir sulfate
Abacavir sulfate is one kind of white solid. The Abacavir sulfate is an organic compound. The IUPAC name of this chemical is [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid. The product's categories are Antiviral Agents; Bases & Related Reagents; Inhibitors; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals; Abacavir. It should be stored at -20°C Freezer. Its MP is 222-225°C. Abacavir sulfate is soluble in water.

2. Properties of Abacavir sulfate
Physical properties about Abacavir sulfate are:
(1)ACD/LogP: -0.78; (2)#H bond acceptors: 7; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 59.31 Å²; (6)Flash Point: 338.4 °C; (7)Enthalpy of Vaporization: 98.77 kJ/mol; (8)Boiling Point: 636 °C at 760 mmHg; (9)Vapour Pressure: 4.77E-17 mmHg at 25°C.

3. Structure Descriptors of Abacavir sulfate
(1)SMILES: O=S(=O)(O)O.n3c1c(ncn1[C@H]2/C=C\[C@@H](CO)C2)c(nc3N)NC4CC4.OC[C@@H]4\C=C/[C@H](n2c3nc(nc(NC1CC1)c3nc2)N)C4
(2)InChI: InChI=1/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
(3)InChIKey: WMHSRBZIJNQHKT-FFKFEZPRBO
(4)Std. InChI: InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
(5)Std. InChIKey: WMHSRBZIJNQHKT-FFKFEZPRSA-N

4. Uses of Abacavir sulfate
Abacavir sulfate is a nucleoside reverse transcriptase inhibitor (NRTI). As one kind of API, it can be used in the medicine.

Product Name

Abacavir sulfate

Abacavir sulfate Specification

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