CAS 252976-11-7|5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5-d4

Introduction：Basic information about CAS 252976-11-7|5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5-d4
CAS Number	252976-11-7	Molecular Weight	368.50
Density	1.2±0.1 g/cm3	Boiling Point	544.5±50.0 °C at 760 mmHg
Molecular Formula	C₂₁H₂₈D₄O₅	Melting Point	/
MSDS	/	Flash Point	297.1±26.6 °C

Names

Name	5a-pregnan-11b,17a,21-triol-3,20-dione-1,2,4,5-d4
Synonym	More Synonyms

BiologicalActivity

Description	5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5-d4 is the deuterium labeled 5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Others
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	544.5±50.0 °C at 760 mmHg
Molecular Formula	C₂₁H₂₈D₄O₅
Molecular Weight	368.50
Flash Point	297.1±26.6 °C
Exact Mass	368.250092
PSA	94.83000
LogP	1.65
Vapour Pressure	0.0±3.3 mmHg at 25°C
Index of Refraction	1.570
InChIKey	ACSFOIGNUQUIGE-ARCBVMEUSA-N
SMILES	CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

Synonyms

(5α,11β)-11,17,21-Trihydroxy(1,2,4,5-H)pregnane-3,20-dione

Pregnane-3,20-dione-1,2,4,5-d, 11,17,21-trihydroxy-, (5α,11β)-

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