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Gabapentin-d6 Hydrochloride

CAT: 0572-TRC-G117247-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G117247-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432061-73-8
Synonyms
1-(Aminomethyl)cyclohexane-d6-acetic Acid Hydrochloride
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
NCC1(CC(O)=O)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1.Cl
Molecular Formula
C9 H11 D6 N O2 . H Cl
Molecular Weight
213.73
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Gabapentin-d6 Hydrochloride
CAS Number1432061-73-8
PubChem CID76973126
IUPAC Name2-[1-(aminomethyl)-3,3,4,4,5,5-hexadeuteriocyclohexyl]acetic acid;hydrochloride
Molecular FormulaC9H18ClNO2
Molecular Weight213.73
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(CC(=O)O)CN)[2H].Cl
InChI
InChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H/i1D2,2D2,3D2;
InChIKey
XBUDZAQEMFGLEU-LRDWTYOMSA-N
Chemical Structure
2D Structure
2D structure of Gabapentin-d6 Hydrochloride
CAS: 1432061-73-8
CID: 76973126
Formula: C9H18ClNO2
MW: 213.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.73
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass213.1402670
Monoisotopic Mass213.1402670
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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