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Proquinazid- (propoxy-d7)

CAT: 0804-HY-117171SSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117171SSize:1 Each
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Description
Proquinazid- (propoxy-d7) (6-Iodo-2-propoxy-d7-3-propyl-4 (3H) -quinazolinone) is deuterium labeled Proquinazid[1].
CAS Number
2140327-37-1
Product Name Alternative
6-Iodo-2-propoxy-d7-3-propyl-4 (3H) -quinazolinone; Proquinazid-d7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C1N(CCC)C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=NC2=C1C=C(I)C=C2
Molecular Formula
C14H10D7IN2O2
Molecular Weight
379.24
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

6-Iodo-2-propoxy-d7-3-propyl-4(3H)-quinazolinone
CAS Number2140327-37-1
PubChem CID124202507
IUPAC Name2-(1,1,2,2,3,3,3-heptadeuteriopropoxy)-6-iodo-3-propylquinazolin-4-one
Molecular FormulaC14H17IN2O2
Molecular Weight379.24
XLogP3.7
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity359
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OC1=NC2=C(C=C(C=C2)I)C(=O)N1CCC
InChI
InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3/i2D3,4D2,8D2
InChIKey
FLVBXVXXXMLMOX-JVLKTEDCSA-N
Chemical Structure
2D Structure
2D structure of 6-Iodo-2-propoxy-d7-3-propyl-4(3H)-quinazolinone
CAS: 2140327-37-1
CID: 124202507
Formula: C14H17IN2O2
MW: 379.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.24
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass379.07741
Monoisotopic Mass379.07741
Topological Polar Surface Area41.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count7
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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