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Dolutegravir Impurity B
[CAS# 1357289-29-2]

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Identification
Name Dolutegravir Impurity B
Synonyms Dolutegravir RR isomer;(3R,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
Molecular Structure CAS # 1357289-29-2, Dolutegravir Impurity B, Dolutegravir RR isomer,(3R,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
Molecular Formula C20H19F2N3O5
Molecular Weight 419.38
CAS Registry Number 1357289-29-2
SMILES C[C@@H]1CCO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
Properties
Density 1.5±0.1 g/cm3, Calc.*
Index of Refraction 1.622, Calc.*
Boiling Point 732.4±70.0 ºC (760 mmHg), Calc.*
Flash Point 396.7±35.7 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302+H312+H332-H315-H319    Details
Precautionary Statements P261-P271-P280-P302+P352-P305+P351+P338    Details
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