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Chemical structure of Anastrozole-d12

GC46854

Anastrozole-d12

Also known as 2-[3-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile

An internal standard for the quantification of anastrozole

ChemicalCAS120512-32-5MW305.4FormulaC17H7D12N5
CAS number
120512-32-5
Molecular weight
305.4
Formula
C17H7D12N5
Solubility
Chloroform： Soluble
InChIKey
YBBLVLTVTVSKRW-MGKWXGLJSA-N
Catalogue number
GC46854
Brand
GLPBIO
Computed properties PubChem CID 44256128 · XLogP 2.1 · TPSA 78.3 Ų · H-bond donors 0
XLogP
2.1
TPSA
78.3 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

SMILES [2H]C([2H])([2H])C(C#N)(C1=CC(=CC(=C1)CN2C=NC=N2)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 44256128), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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