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Details

Stereochemistry ACHIRAL
Molecular Formula C23H28N4O7
Molecular Weight 472.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[[2-[[2-[[2-[[(2-Hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid

SMILES

OCCNC(=O)C1=C(C=CC=C1)C(=O)NCCN(CO)CCNC(=O)C2=C(C=CC=C2)C(O)=O

InChI

InChIKey=RAZAKZXSZQNECO-UHFFFAOYSA-N
InChI=1S/C23H28N4O7/c28-14-11-26-21(31)17-6-2-1-5-16(17)20(30)24-9-12-27(15-29)13-10-25-22(32)18-7-3-4-8-19(18)23(33)34/h1-8,28-29H,9-15H2,(H,24,30)(H,25,32)(H,26,31)(H,33,34)

HIDE SMILES / InChI

Molecular Formula C23H28N4O7
Molecular Weight 472.491
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 12:16:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:32 GMT 2023
Record UNII
JSV9KY8DN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[[2-[[2-[[2-[[(2-Hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid
Systematic Name English
Benzoic acid, 2-[[[2-[[2-[[2-[[(2-hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
309-125-8
Created by admin on Sat Dec 16 12:16:32 GMT 2023 , Edited by admin on Sat Dec 16 12:16:32 GMT 2023
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FDA UNII
JSV9KY8DN5
Created by admin on Sat Dec 16 12:16:32 GMT 2023 , Edited by admin on Sat Dec 16 12:16:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID10142900
Created by admin on Sat Dec 16 12:16:32 GMT 2023 , Edited by admin on Sat Dec 16 12:16:32 GMT 2023
PRIMARY
CAS
100063-61-4
Created by admin on Sat Dec 16 12:16:32 GMT 2023 , Edited by admin on Sat Dec 16 12:16:32 GMT 2023
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PUBCHEM
113544
Created by admin on Sat Dec 16 12:16:32 GMT 2023 , Edited by admin on Sat Dec 16 12:16:32 GMT 2023
PRIMARY