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Chemical structure of Heroin-d9 (CRM)

GC48627

Heroin-d9 (CRM)

Also known as [(4R,4aR,7S,7aR,12bS)-9-(2,2,2-trideuterioacetyl)oxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2,2,2-trideuterioacetate

A Certified Reference Material

ChemicalCAS1338713-49-7MW378.5FormulaC21H14D9NO5
CAS number
1338713-49-7
Molecular weight
378.5
Formula
C21H14D9NO5
InChIKey
GVGLGOZIDCSQPN-OYCCCKEBSA-N
Catalogue number
GC48627
Brand
GLPBIO
Computed properties PubChem CID 117065092 · XLogP 1.5 · TPSA 65.1 Ų · H-bond donors 0
XLogP
1.5
TPSA
65.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES [2H]C([2H])([2H])C(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C([2H])([2H])[2H])CCN3C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 117065092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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