THIOSILDENAFIL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30N6O3S2
Molecular Weight	490.642
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=NN(C)C2=C1N=C(NC2=S)C3=CC(=CC=C3OCC)S(=O)(=O)N4CCN(C)CC4

InChI

InChIKey=LJUBVCQVNMLSTQ-UHFFFAOYSA-N

InChI=1S/C22H30N6O3S2/c1-5-7-17-19-20(27(4)25-17)22(32)24-21(23-19)16-14-15(8-9-18(16)31-6-2)33(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,32)

HIDE SMILES / InChI

Molecular Formula	C22H30N6O3S2
Molecular Weight	490.642
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 5A 30 Target ID: CHEMBL1827 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22365331	Inhibitor 8297		0.59 nM [IC50]

PubMed

Title	Date	PubMed
Isolation and identification of thiohomosildenafil and thiosildenafil in health supplements.	2008 Jun 9	18316170
Analysis of herbal dietary supplements for sexual performance enhancement: first characterization of propoxyphenyl-thiohydroxyhomosildenafil and identification of sildenafil, thiosildenafil, phentolamine and tetrahydropalmatine as adulterants.	2012 Apr 7	22365331
Simultaneous identification of hydroxythiohomosildenafil, aminotadalafil, thiosildenafil, dimethylsildenafil, and thiodimethylsildenafil in dietary supplements using high-performance liquid chromatography-mass spectrometry.	2013	23863369

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:17 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:17 GMT 2023`
Record UNII	HRL3FWK7XV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIOSILDENAFIL

Common Name

English

5-(2-ETHOXY-5-((4-METHYL-1-PIPERAZINYL)SULFONYL)PHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-7H-PYRAZOLO(4,3-D)PYRIMIDINE-7-THIONE

Systematic Name

English

7H-PYRAZOLO(4,3-D)PYRIMIDINE-7-THIONE, 5-(2-ETHOXY-5-((4-METHYL-1-PIPERAZINYL)SULFONYL)PHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-

Systematic Name

English

PIPERAZINE, 1-((3-(4,7-DIHYDRO-1-METHYL-3-PROPYL-7-THIOXO-1H-PYRAZOLO(4,3-D)PYRIMIDIN-5-YL)-4-ETHOXYPHENYL)SULFONYL)-4-METHYL-

Systematic Name

English

SULFOSILDENAFIL

Common Name

English

Classification Tree Code System Code

WIKIPEDIA

Designer-drugs-Thiosildenafil