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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O3S.CH4O3S
Molecular Weight 497.628
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SONEPIPRAZOLE MESYLATE

SMILES

CS(O)(=O)=O.NS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC[C@@H]3OCCC4=C3C=CC=C4)CC2

InChI

InChIKey=GFNAQGUENCOUHQ-BOXHHOBZSA-N
InChI=1S/C21H27N3O3S.CH4O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21;1-5(2,3)4/h1-8,21H,9-16H2,(H2,22,25,26);1H3,(H,2,3,4)/t21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C21H27N3O3S
Molecular Weight 401.522
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:42 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:42 UTC 2023
Record UNII
980MD32QLW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SONEPIPRAZOLE MESYLATE
USAN  
USAN  
Official Name English
PNU-101387G
Code English
SONEPIPRAZOLE MESYLATE [USAN]
Common Name English
(S)-4-(4-(2-(3,4-DIHYDRO-1H-2-BENZOPYRAN-1-YL)ETHYL)-1-PIPERAZINYL)BENZENESULPHONAMIDE MONOMETHANESULPHONATE
Systematic Name English
SONEPIPRAZOLE MESILATE
Common Name English
(-)-P-(4-(2-((S)-1-ISOCHROMANYL)ETHYL)-1-PIPERAZINYL)BENZENESULPHONAMIDE MONOMETHANESULPHONATE
Common Name English
(S)-4-(4-(2-(3,4-DIHYDRO-1H-2-BENZOPYRAN-1-YL)ETHYL)-1-PIPERAZINYL)BENZENESULFONAMIDE MONOMETHANESULFONATE
Systematic Name English
(-)-P-(4-(2-((S)-1-ISOCHROMANYL)ETHYL)-1-PIPERAZINYL)BENZENESULFONAMIDE MONOMETHANESULFONATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66883
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
Code System Code Type Description
CAS
170858-34-1
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
USAN
JJ-53
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
PUBCHEM
133078
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID00168957
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL69759
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
FDA UNII
980MD32QLW
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
NCI_THESAURUS
C84177
Created by admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
PRIMARY
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ACTIVE MOIETY