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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22ClN3O3S2.ClH
Molecular Weight 488.451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-271046 HYDROCHLORIDE

SMILES

Cl.COC1=CC=C(NS(=O)(=O)C2=C(C)C3=CC(Cl)=CC=C3S2)C=C1N4CCNCC4

InChI

InChIKey=RMXZRJYGJMSDQK-UHFFFAOYSA-N
InChI=1S/C20H22ClN3O3S2.ClH/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24;/h3-6,11-12,22-23H,7-10H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H22ClN3O3S2
Molecular Weight 451.99
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 15:37:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:20 UTC 2023
Record UNII
X289JNP23G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-271046 HYDROCHLORIDE
Code English
SB-271046A
Code English
BENZO(B)THIOPHENE-2-SULFONAMIDE, 5-CHLORO-N-(4-METHOXY-3-(1-PIPERAZINYL)PHENYL)-3-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
X289JNP23G
Created by admin on Fri Dec 15 15:37:20 UTC 2023 , Edited by admin on Fri Dec 15 15:37:20 UTC 2023
PRIMARY
CAS
209481-24-3
Created by admin on Fri Dec 15 15:37:20 UTC 2023 , Edited by admin on Fri Dec 15 15:37:20 UTC 2023
PRIMARY
PUBCHEM
6918455
Created by admin on Fri Dec 15 15:37:20 UTC 2023 , Edited by admin on Fri Dec 15 15:37:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE