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Chemical structure of Dolutegravir intermediate-1

GC30687

Dolutegravir intermediate-1

Also known as 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid

Dolutegravir intermediate-1 is a synthetic intermediate of Dolutegravir extracted from patent WO 2016125192 A2

ChemicalCAS1335210-23-5MW315.28FormulaC13H17NO8
CAS number
1335210-23-5
Molecular weight
315.28
Formula
C13H17NO8
Solubility
DMSO ： 100 mg/mL (317·18 mM; Need ultrasonic)
InChIKey
XAXGEECGULRZGN-UHFFFAOYSA-N
Catalogue number
GC30687
Brand
GLPBIO
Computed properties PubChem CID 53469000 · XLogP 0.7 · TPSA 112 Ų · H-bond donors 1
XLogP
0.7
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
22

SMILES COC1=C(N(C=C(C1=O)C(=O)O)CC(OC)OC)C(=O)OC

Computed descriptors from PubChem (CID 53469000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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