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Chemical structure of Irbesartan-d4

GC40208

Irbesartan-d4

Also known as 2-butyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

Irbesartan-d4 is intended for use as an internal standard for the quantification of irbesartan by GC- or LC-MS

ChemicalCAS1216883-23-6MW432.6FormulaC25H24D4N6O
CAS number
1216883-23-6
Molecular weight
432.6
Formula
C25H24D4N6O
Solubility
DMSO ： 100 mg/mL (231·19 mM; Need ultrasonic and warming); DMF ： ≥ 20 mg/mL (46·24 mM); DMSO ： ≥ 14 mg/mL (32·37 mM); Ethanol ： ≥ 0·5 mg/mL (1·16 mM)
InChIKey
YOSHYTLCDANDAN-WQKXEYJYSA-N
Catalogue number
GC40208
Brand
GLPBIO
Computed properties PubChem CID 45358998 · XLogP 4.1 · TPSA 87.1 Ų · H-bond donors 1
XLogP
4.1
TPSA
87.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32

SMILES [2H]C1=C(C(=C(C(=C1CN2C(=NC3(C2=O)CCCC3)CCCC)[2H])[2H])C4=CC=CC=C4C5=NNN=N5)[2H]

Computed descriptors from PubChem (CID 45358998), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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