U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H27N3O10
Molecular Weight 541.5067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUIN2 FREE ACID

SMILES

COC1=CC2=C(N=C(COC3=C(C=CC(C)=C3)N(CC(O)=O)CC(O)=O)C=C2)C(=C1)N(CC(O)=O)CC(O)=O

InChI

InChIKey=XCBWMEWFFNUFLV-UHFFFAOYSA-N
InChI=1S/C26H27N3O10/c1-15-3-6-19(28(10-22(30)31)11-23(32)33)21(7-15)39-14-17-5-4-16-8-18(38-2)9-20(26(16)27-17)29(12-24(34)35)13-25(36)37/h3-9H,10-14H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

HIDE SMILES / InChI

Molecular Formula C26H27N3O10
Molecular Weight 541.5067
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 10:09:40 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:40 GMT 2023
Record UNII
P6R8CW67YD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUIN2 FREE ACID
Common Name English
N-(2-((8-(BIS(CARBOXYMETHYL)AMINO)-6-METHOXY-2-QUINOLINYL)METHOXY)-4-METHYLPHENYL)-N-(CARBOXYMETHYL) GLYCINE
Systematic Name English
2-[2-[[8-[bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-4-methylanilino]aceticacid
Common Name English
GLYCINE, N-(2-((8-(BIS(CARBOXYMETHYL)AMINO)-6-METHOXY-2-QUINOLINYL)METHOXY)-4-METHYLPHENYL)-N-(CARBOXYMETHYL)-
Systematic Name English
QUIN2 FREE ACID [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m9428
Created by admin on Sat Dec 16 10:09:40 GMT 2023 , Edited by admin on Sat Dec 16 10:09:40 GMT 2023
PRIMARY
PUBCHEM
104841
Created by admin on Sat Dec 16 10:09:40 GMT 2023 , Edited by admin on Sat Dec 16 10:09:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID401003065
Created by admin on Sat Dec 16 10:09:40 GMT 2023 , Edited by admin on Sat Dec 16 10:09:40 GMT 2023
PRIMARY
CAS
83014-44-2
Created by admin on Sat Dec 16 10:09:40 GMT 2023 , Edited by admin on Sat Dec 16 10:09:40 GMT 2023
PRIMARY
FDA UNII
P6R8CW67YD
Created by admin on Sat Dec 16 10:09:40 GMT 2023 , Edited by admin on Sat Dec 16 10:09:40 GMT 2023
PRIMARY