Identification Chemical Properties Supplier

916918-80-4

Name Abacavir acetate
CAS 916918-80-4
Molecular Formula C24H31NO3
Molecular Weight 381.51
MOL File 916918-80-4.mol
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Chemical Properties

Boiling point  526.4±45.0 °C(Predicted)
density  1.130±0.06 g/cm3(Predicted)
pka 14.75±0.20(Predicted)
InChI InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3
InChIKey QKYBZJLEMOZFFU-UHFFFAOYSA-N
SMILES C(OC1=CC=C(C(C2(O)CCCCC2)CN(C)C)C=C1)(=O)C1=CC=C(C)C=C1

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