Propylparaben-d7

CAT: 0804-HY-N2026SSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N2026SSize:5 mg

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Description

Propylparaben-d7 (Propyl parahydroxybenzoate-d7) is the deuterium labeled Propylparaben. Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[2][3][4].

CAS Number

1246820-92-7

Product Name Alternative

Propyl parahydroxybenzoate-d7; Propyl 4-hydroxybenzoate-d7

UNSPSC

12352005

Target

Apoptosis; Bacterial; Endogenous Metabolite; Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Anti-infection; Apoptosis; Metabolic Enzyme/Protease; Others

Field of Research

Others

Solubility

10 mM in DMSO

Smiles

O=C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C1=CC=C(O)C=C1

Molecular Formula

C10H5D7O3

Molecular Weight

187.24

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

Propyl-d7 Paraben

See also: Propylparaben (annotation moved to).

CAS Number	1246820-92-7
PubChem CID	71751855
IUPAC Name	1,1,2,2,3,3,3-heptadeuteriopropyl 4-hydroxybenzoate
Molecular Formula	C10H12O3
Molecular Weight	187.24
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	160

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3/i1D3,2D2,7D2

InChIKey

QELSKZZBTMNZEB-OEPSAGCASA-N

Chemical Structure

2D Structure

CAS: 1246820-92-7

CID: 71751855

Formula: C10H12O3

MW: 187.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	187.24
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	187.122581462
Monoisotopic Mass	187.122581462
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N2026AR	Propylparaben (sodium) (Standard)
HY-B0573S1-01	Propranolol-d7 (ring-d7)
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T5557-01	Propylparaben
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T40442	Propylparaben sodium
A17626-5000	Propylparaben 5g

Propylparaben-d7

Chemical Information

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