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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N2O4
Molecular Weight 328.3624
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-XANTHEN-9-ONE

SMILES

CN(C)CCNC1=CC=C(CO)C2=C1C(=O)C3=C(O2)C=CC(O)=C3

InChI

InChIKey=BOTXZPXSICDQHE-UHFFFAOYSA-N
InChI=1S/C18H20N2O4/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 C18H20N2O4
Molecular Weight 328.3624
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 Tue Apr 01 19:43:27 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:27 GMT 2025
Record UNII
K44K33VWT2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-355184
Preferred Name English
1-((2-(DIMETHYLAMINO)ETHYL)AMINO)-7-HYDROXY-4-(HYDROXYMETHYL)-9H-XANTHEN-9-ONE
Systematic Name English
9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70235564
Created by admin on Tue Apr 01 19:43:27 GMT 2025 , Edited by admin on Tue Apr 01 19:43:27 GMT 2025
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NSC
355184
Created by admin on Tue Apr 01 19:43:27 GMT 2025 , Edited by admin on Tue Apr 01 19:43:27 GMT 2025
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CAS
86455-98-3
Created by admin on Tue Apr 01 19:43:27 GMT 2025 , Edited by admin on Tue Apr 01 19:43:27 GMT 2025
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PUBCHEM
337396
Created by admin on Tue Apr 01 19:43:27 GMT 2025 , Edited by admin on Tue Apr 01 19:43:27 GMT 2025
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FDA UNII
K44K33VWT2
Created by admin on Tue Apr 01 19:43:27 GMT 2025 , Edited by admin on Tue Apr 01 19:43:27 GMT 2025
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