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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N2O3S
Molecular Weight 344.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[[2-(Dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one

SMILES

CN(C)CCNC1=C2C(=O)C3=CC(O)=CC=C3SC2=C(CO)C=C1

InChI

InChIKey=YDQFGJFCLNZQJY-UHFFFAOYSA-N
InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H20N2O3S
Molecular Weight 344.428
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 12:40:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:47 GMT 2023
Record UNII
FT9763S4HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[[2-(Dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-thioxanthen-9-one
Systematic Name English
9H-THIOXANTHEN-9-ONE, 1-((2-(DIMETHYLAMINO)ETHYL)AMINO)-7-HYDROXY-4-(HYDROXYMETHYL)-
Systematic Name English
NSC-334352
Code English
1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50235562
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
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FDA UNII
FT9763S4HA
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
PRIMARY
PUBCHEM
333459
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
PRIMARY
CAS
86455-91-6
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
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NSC
334352
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
PRIMARY