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Gabapentin-D4

CAT: 1299-RM-G021633-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G021633-02Size:25 mg
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CAS Number
1185039-20-6
Synonyms
2- (1- (aminomethyl-d2) cyclohexyl) acetic-2,2-d2 acid
Molecular Formula
C9H13D4NO2
Molecular Weight
175.26
Target Alternative Name
Gabapentin
Product Name Synonym
2- (1- (aminomethyl-d2) cyclohexyl) acetic-2,2-d2 acid

Chemical Information

2-(1-(Amino-dideuteriomethyl)cyclohexyl)-2,2-dideuterioacetic acid
CAS Number1185039-20-6
PubChem CID45039319
IUPAC Name2-[1-[amino(dideuterio)methyl]cyclohexyl]-2,2-dideuterioacetic acid
Molecular FormulaC9H17NO2
Molecular Weight175.26
XLogP-1.1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
[2H]C([2H])(C(=O)O)C1(CCCCC1)C([2H])([2H])N
InChI
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)/i6D2,7D2
InChIKey
UGJMXCAKCUNAIE-KXGHAPEVSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-(Amino-dideuteriomethyl)cyclohexyl)-2,2-dideuterioacetic acid
CAS: 1185039-20-6
CID: 45039319
Formula: C9H17NO2
MW: 175.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.26
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass175.151035769
Monoisotopic Mass175.151035769
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count4
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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Alternative Products

CatalogName
CS-T-55149Gabapentin-d4
CS-O-15443Gabapentin-d4 Hydrochloride
HY-A0057AS2Gabapentin-d4 (hydrochloride)
CS-O-06640Gabapentin-d4 Hydrochloride Monohydrate
CS-EL-00110Gabapentin-d4 (cyclohexyl-2,2,6,6-d4)
TRC-KIT1237-5X1MLGabapentin-d4 (100 μg/mL in Methanol)
G1016-61CGabapentin-d4 (1- (Aminomethyl) cyclohexaneacetic Acid-d4, Neurontin-d4, GOE-3450-d4)
MBS6017020-01Gabapentin-d4 (1-(Aminomethyl)cyclohexaneacetic Acid-d4, Neurontin-d4, GOE-3450-d4)
451032Gabapentin-d4 (100 μg/mL in Methanol) discontinued
T0702-01Gabapentin

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