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Chemical structure of Carbamazepine 10,11 epoxide-d10

GC76809

Carbamazepine 10,11 epoxide-d10

Also known as 2,4,6,7,8,9,13,14,15,16-decadeuterio-3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide

Carbamazepine 10,11 epoxide-d10 is the deuterium labeled Carbamazepine 10,11 epoxide

ChemicalCAS1219804-16-6MW262.33FormulaC15H2D10N2O2
CAS number
1219804-16-6
Molecular weight
262.33
Formula
C15H2D10N2O2
Solubility
DMSO： 125 mg/mL (476·50 mM; Need ultrasonic)
InChIKey
ZRWWEEVEIOGMMT-WJSNEECMSA-N
Catalogue number
GC76809
Brand
GLPBIO
Computed properties PubChem CID 76974847 · XLogP 1.3 · TPSA 58.9 Ų · H-bond donors 1
XLogP
1.3
TPSA
58.9 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19

SMILES [2H]C1=C(C(=C2C(=C1[2H])C3(C(O3)(C4=C(C(=C(C(=C4N2C(=O)N)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 76974847), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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