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Details

Stereochemistry RACEMIC
Molecular Formula C28H33O8.Na
Molecular Weight 520.5466
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABLUKAST SODIUM

SMILES

[Na+].CCCC1=C(OCCCCCOC2=C(C=C3CCC(OC3=C2)C([O-])=O)C(C)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=IQXFQHXFCSOQGI-UHFFFAOYSA-M
InChI=1S/C28H34O8.Na/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33;/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABLUKAST SODIUM
USAN  
USAN  
Official Name English
RO 23 3544/001
Code English
RO-233544001
Code English
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, MONOSODIUM SALT, (±)-
Common Name English
ABLUKAST SODIUM [USAN]
Common Name English
SODIUM (±)-6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-2-CHROMANCARBOXYLATE
Systematic Name English
RO 23-3544/001
Code English
RO-23-3544/001
Code English
ULPAX
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL22016
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
USAN
Y-18
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
FDA UNII
37BXZ0J2RT
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
NCI_THESAURUS
C83514
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID30914449
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
PUBCHEM
23694472
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY
CAS
96565-55-8
Created by admin on Fri Dec 15 15:51:09 UTC 2023 , Edited by admin on Fri Dec 15 15:51:09 UTC 2023
PRIMARY