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Carbamazepine-d2 (Major)

CAT: 0572-TRC-C175843-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C175843-10MGSize:10 mg
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CAS Number
1189902-21-3
Synonyms
5H-Dibenz[b,f]azepine-5-carboxamide-d2; 5-Carbamoyl-5H-dibenz[b,f]azepine-d2; Amizepin-d2; Biston-d2; CBZ-d2; Calepsin-d2; Carbamazepen-d2; Carbamazepin-d2; G 32883-d2; Geigy 32883-d2; Karbamazepin-d2; Karbelex-d2; Karberol-d2; NSC 169864-d2; Tegretol-d2;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NC(N(C1=C2C=CC=C1)C3=C(C([2H])=C2[2H])C=CC=C3)=O
Molecular Formula
C15H10D2N2O
Molecular Weight
238.28
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Carbamazepine-d2 (Major)
CAS Number1189902-21-3
PubChem CID45038544
IUPAC Name5,6-dideuteriobenzo[b][1]benzazepine-11-carboxamide
Molecular FormulaC15H12N2O
Molecular Weight238.28
XLogP2.5
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity326
SMILES
[2H]C1=C(C2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N)[2H]
InChI
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)/i9D,10D
InChIKey
FFGPTBGBLSHEPO-QDRJLNDYSA-N
Chemical Structure
2D Structure
2D structure of Carbamazepine-d2 (Major)
CAS: 1189902-21-3
CID: 45038544
Formula: C15H12N2O
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass238.107516502
Monoisotopic Mass238.107516502
Topological Polar Surface Area46.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity326
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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