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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33O8.Na
Molecular Weight 520.5466
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABLUKAST SODIUM, (S)-

SMILES

[Na+].CCCC1=C(OCCCCCOC2=C(C=C3CC[C@H](OC3=C2)C([O-])=O)C(C)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=IQXFQHXFCSOQGI-JIDHJSLPSA-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/t24-;/m0./s1

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
ABLUKAST SODIUM, (S)-
Common Name English
2H-1-BENZOPYRAN-2S-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, MONOSODIUM SALT
Systematic Name English
2H-1-BENZOPYRAN-2S-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
76957146
Created by admin on Sat Dec 16 09:07:08 GMT 2023 , Edited by admin on Sat Dec 16 09:07:08 GMT 2023
PRIMARY
FDA UNII
27850U641R
Created by admin on Sat Dec 16 09:07:08 GMT 2023 , Edited by admin on Sat Dec 16 09:07:08 GMT 2023
PRIMARY