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Didesmethylsibutramine-d7

CAT: 0804-HY-W345136SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W345136SSize:1 mg
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Description
Didesmethylsibutramine-d7 is the deuterium labeled Didesmethylsibutramine[1].
CAS Number
1188331-25-0
Product Name Alternative
BTS 54-505-d7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])CC(C1(C2=CC=C(C=C2)Cl)CCC1)N
Molecular Formula
C15H15D7ClN
Molecular Weight
258.84
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-[1-(4-Chlorophenyl)cyclobutyl]-3,4,4,4-tetradeuterio-3-(trideuteriomethyl)butan-1-amine
CAS Number1188331-25-0
PubChem CID45359115
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-3,4,4,4-tetradeuterio-3-(trideuteriomethyl)butan-1-amine
Molecular FormulaC15H22ClN
Molecular Weight258.84
XLogP4.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity239
SMILES
[2H]C([2H])([2H])C([2H])(CC(C1(CCC1)C2=CC=C(C=C2)Cl)N)C([2H])([2H])[2H]
InChI
InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3/i1D3,2D3,11D
InChIKey
WQSACWZKKZPCHN-UENXPIBQSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-(4-Chlorophenyl)cyclobutyl]-3,4,4,4-tetradeuterio-3-(trideuteriomethyl)butan-1-amine
CAS: 1188331-25-0
CID: 45359115
Formula: C15H22ClN
MW: 258.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.84
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass258.1880146
Monoisotopic Mass258.1880146
Topological Polar Surface Area26 Ų
Heavy Atom Count17
Formal Charge0
Complexity239
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6047775-01Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
C1082Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, _x000B_ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
CS-T-103010Isocarbofos D7 (isopropyl D7)
AR-P33051-01Prostacyclin-d7 (Epoprostenol-d7)
RM-P181528-01Propranolol-D7 (Naphthalenyl-D7)
CS-C-01232(+/-) -Ropivacaine-d7 (propyl-d7)
TRC-F598826-100MGFlurprimidol D7 (Isopropyl D7)
R211311(±)-Ropivacaine-d7 (propyl-d7)
CS-T-60821Propranolol-d7 (ring-d7)
CS-O-47499Butylphthalide D7 (NBP D7)

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