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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O8
Molecular Weight 498.5648
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABLUKAST, (R)-

SMILES

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

InChI

InChIKey=FGGYJWZYDAROFF-XMMPIXPASA-N
InChI=1S/C28H34O8/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)/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H34O8
Molecular Weight 498.5648
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:07:06 GMT 2023
Edited
by admin
on Sat Dec 16 09:07:06 GMT 2023
Record UNII
AA2PLU36WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABLUKAST, (R)-
Common Name English
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, (R)-
Systematic Name English
Code System Code Type Description
CAS
96686-73-6
Created by admin on Sat Dec 16 09:07:07 GMT 2023 , Edited by admin on Sat Dec 16 09:07:07 GMT 2023
PRIMARY
FDA UNII
AA2PLU36WV
Created by admin on Sat Dec 16 09:07:07 GMT 2023 , Edited by admin on Sat Dec 16 09:07:07 GMT 2023
PRIMARY
PUBCHEM
14329741
Created by admin on Sat Dec 16 09:07:07 GMT 2023 , Edited by admin on Sat Dec 16 09:07:07 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE