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| CAS No.: | 188062-50-2 |
|---|---|
| Name: | Abacavir sulfate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C28H38N12O6S |
| Molecular Weight: | 670.74 |
| 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); |
| EINECS: | 620-488-4 |
| Melting Point: | 222-225 °C |
| Boiling Point: | 636 °C at 760 mmHg |
| Flash Point: | 338.4 °C |
| Solubility: | 1.68ug/L(32 oC) |
| Appearance: | white solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 63-40 |
| Safety: | 36/37 |
| PSA: | 153.63000 |
| LogP: | 2.65440 |
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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.