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Diheptyl phthalate-d4

CAT: 0804-HY-W011103S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011103S-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Diheptyl phthalate-d4 is the deuterium labeled Diheptyl phthalate[1].
CAS Number
358731-41-6
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCCOC(C1=C(C([2H])=C([2H])C([2H])=C1[2H])C(OCCCCCCC)=O)=O
Molecular Formula
C22H30D4O4
Molecular Weight
366.53
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Di-n-heptyl Phthalate-d4
CAS Number358731-41-6
PubChem CID102601149
IUPAC Namediheptyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular FormulaC22H34O4
Molecular Weight366.5
XLogP8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count26
Formal Charge0
Complexity344
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCC)C(=O)OCCCCCCC)[2H])[2H]
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3/i11D,12D,15D,16D
InChIKey
JQCXWCOOWVGKMT-SAQXESPHSA-N
Chemical Structure
2D Structure
2D structure of Di-n-heptyl Phthalate-d4
CAS: 358731-41-6
CID: 102601149
Formula: C22H34O4
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass366.27081655
Monoisotopic Mass366.27081655
Topological Polar Surface Area52.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity344
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

Related Products

CatalogName
HY-W011103-01Diheptyl phthalate
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HY-121451S-01Dibenzyl Phthalate-d4
HY-W101584S-01Diisopentyl phthalate-d4
HY-150863S-01Monononyl phthalate-d4
HY-Y0284S-01Diethyl phthalate-d4
HY-N7143S-01Monobutyl phthalate-d4
HY-133671S-01Monooctyl phthalate-d4
HY-W011926S-01Diisopropyl phthalate-d4
HY-B1944S-01Dipropyl phthalate-d4

Alternative Products

CatalogName
sc-234688Diheptyl phthalate
CS-T-88811Dibutyl Phthalate-d4
TRC-D459452-1MGDiisopropyl Phthalate-d4
TRC-M525577-25MGMonocarboxyisodecyl Phthalate-d4
TMIJ-0509-01Diethyl Phthalate-d4
456559Monoisopropyl Phthalate-d4
165041Monooctyl Phthalate-d4
165031Monodecyl Phthalate-d4
163914Diundecyl Phthalate-d4
163753Dibenzyl Phthalate-d4

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