ABLUKAST SODIUM, (S)-

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 Search

SMILES

[Na+].CCCC1=C(O)C(=CC=C1OCCCCCOC2=C(C=C3CC[C@H](OC3=C2)C([O-])=O)C(C)=O)C(C)=O

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

Molecular Formula	C28H33O8
Molecular Weight	497.5568
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:30:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:30:04 GMT 2025`
Record UNII	27850U641R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

76957146

Created by admin on Mon Mar 31 22:30:04 GMT 2025 , Edited by admin on Mon Mar 31 22:30:04 GMT 2025

PRIMARY

FDA UNII

27850U641R

Created by admin on Mon Mar 31 22:30:04 GMT 2025 , Edited by admin on Mon Mar 31 22:30:04 GMT 2025

PRIMARY

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