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Details

Stereochemistry ACHIRAL
Molecular Formula C24H24N2O5S
Molecular Weight 452.523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-((2-(DIMETHYLAMINO)ETHYL)AMINO)-9-OXO-9H-XANTHEN-2-YL 4-METHYLBENZENESULFONATE

SMILES

CN(C)CCNC1=CC=CC2=C1C(=O)C3=C(O2)C=CC(OS(=O)(=O)C4=CC=C(C)C=C4)=C3

InChI

InChIKey=FGZKSRRBULAADD-UHFFFAOYSA-N
InChI=1S/C24H24N2O5S/c1-16-7-10-18(11-8-16)32(28,29)31-17-9-12-21-19(15-17)24(27)23-20(25-13-14-26(2)3)5-4-6-22(23)30-21/h4-12,15,25H,13-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C24H24N2O5S
Molecular Weight 452.523
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 Sat Dec 16 12:46:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:46:13 GMT 2023
Record UNII
PH5KNX6X2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-((2-(DIMETHYLAMINO)ETHYL)AMINO)-9-OXO-9H-XANTHEN-2-YL 4-METHYLBENZENESULFONATE
Systematic Name English
1-[[2-(Dimethylamino)ethyl]amino]-7-[[(4-methylphenyl)sulfonyl]oxy]-9H-xanthen-9-one
Systematic Name English
9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-[[(4-methylphenyl)sulfonyl]oxy]-
Systematic Name English
NSC-354676
Code English
Code System Code Type Description
EPA CompTox
DTXSID50235567
Created by admin on Sat Dec 16 12:46:13 GMT 2023 , Edited by admin on Sat Dec 16 12:46:13 GMT 2023
PRIMARY
CAS
86456-20-4
Created by admin on Sat Dec 16 12:46:13 GMT 2023 , Edited by admin on Sat Dec 16 12:46:13 GMT 2023
PRIMARY
NSC
354676
Created by admin on Sat Dec 16 12:46:13 GMT 2023 , Edited by admin on Sat Dec 16 12:46:13 GMT 2023
PRIMARY
FDA UNII
PH5KNX6X2K
Created by admin on Sat Dec 16 12:46:13 GMT 2023 , Edited by admin on Sat Dec 16 12:46:13 GMT 2023
PRIMARY
PUBCHEM
337293
Created by admin on Sat Dec 16 12:46:13 GMT 2023 , Edited by admin on Sat Dec 16 12:46:13 GMT 2023
PRIMARY