SILDENAFIL N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30N6O5S
Molecular Weight	490.576
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=O)C3=CC(=CC=C3OCC)S(=O)(=O)N4CC[N+](C)([O-])CC4

InChI

InChIKey=JQGFLCMKCZPSEC-UHFFFAOYSA-N

InChI=1S/C22H30N6O5S/c1-5-7-17-19-20(26(3)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-10-12-28(4,30)13-11-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)

HIDE SMILES / InChI

Molecular Formula	C22H30N6O5S
Molecular Weight	490.576
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:35:20 UTC 2023` Edited by `admin` on `Sat Dec 16 08:35:20 UTC 2023`
Record UNII	380S4M4VB3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SILDENAFIL N-OXIDE

Common Name

English

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

Systematic Name

English

SILDENAFIL CITRATE IMPURITY B [EP IMPURITY]

Common Name

English

5-(2-ETHOXY-5-((4-METHYL-4-OXIDOPIPERAZIN-1-YL)SULFONYL)PHENYL)-1-METHYL-3-PROPYL-1,6-DIHYDRO-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

135565954

Created by admin on Sat Dec 16 08:35:20 UTC 2023 , Edited by admin on Sat Dec 16 08:35:20 UTC 2023

PRIMARY

FDA UNII

380S4M4VB3

Created by admin on Sat Dec 16 08:35:20 UTC 2023 , Edited by admin on Sat Dec 16 08:35:20 UTC 2023

PRIMARY

CAS

1094598-75-0

Created by admin on Sat Dec 16 08:35:20 UTC 2023 , Edited by admin on Sat Dec 16 08:35:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID20148938

Created by admin on Sat Dec 16 08:35:20 UTC 2023 , Edited by admin on Sat Dec 16 08:35:20 UTC 2023

PRIMARY

Related Record Type Details


					BW9B0ZE037

SILDENAFIL CITRATE

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP