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Details

Stereochemistry ACHIRAL
Molecular Formula C19H15NO7.Ca
Molecular Weight 409.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEDOCROMIL CALCIUM

SMILES

[Ca++].CCCC1=C2OC(=CC(=O)C2=CC3=C1N(CC)C(=CC3=O)C([O-])=O)C([O-])=O

InChI

InChIKey=FGUNXXYEYHFDNX-UHFFFAOYSA-L
InChI=1S/C19H17NO7.Ca/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula C19H15NO7
Molecular Weight 369.3249
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Fri Dec 15 15:52:14 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:14 UTC 2023
Record UNII
0983W479HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEDOCROMIL CALCIUM
USAN   WHO-DD  
USAN  
Official Name English
4H-PYRANO(3,2-G)QUINOLINE-2,8-DICARBOXYLIC ACID, 9-ETHYL-6,9-DIHYDRO-4,6-DIOXO-10-PROPYL-, CALCIUM SALT (1:1)
Common Name English
FPL-59002KC
Code English
FPL 59002KC
Code English
Calcium 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate (1:1)
Systematic Name English
Nedocromil calcium [WHO-DD]
Common Name English
NEDOCROMIL CALCIUM [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00144074
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
CAS
101626-68-0
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
CHEBI
51030
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
FDA UNII
0983W479HH
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
NCI_THESAURUS
C82647
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
EVMPD
SUB14633MIG
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
SMS_ID
100000076499
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
USAN
Y-57
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL746
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
PUBCHEM
68731
Created by admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY