ABLUKAST SODIUM

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 Search

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

Molecular Formula	C28H33O8
Molecular Weight	497.5568
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:51:09 UTC 2023` Edited by `admin` on `Fri Dec 15 15:51:09 UTC 2023`
Record UNII	37BXZ0J2RT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABLUKAST SODIUM

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