ABLUKAST, (S)-

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 Search

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-DEOSSOPVSA-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-/m0/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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:08 UTC 2023` Edited by `admin` on `Sat Dec 16 09:42:08 UTC 2023`
Record UNII	5D02B11YGB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABLUKAST, (S)-

Common Name

English

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-ACETYL-7-((5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL)OXY)-3,4-DIHYDRO-, (S)-

Systematic Name

English

Code System Code Type Description

CAS

96686-71-4

Created by admin on Sat Dec 16 09:42:08 UTC 2023 , Edited by admin on Sat Dec 16 09:42:08 UTC 2023

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FDA UNII

5D02B11YGB

Created by admin on Sat Dec 16 09:42:08 UTC 2023 , Edited by admin on Sat Dec 16 09:42:08 UTC 2023

PRIMARY

PUBCHEM

14329740

Created by admin on Sat Dec 16 09:42:08 UTC 2023 , Edited by admin on Sat Dec 16 09:42:08 UTC 2023

PRIMARY

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ABLUKAST

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