1-((((R)-1-(3-((R)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANECARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H44ClNO5S2
Molecular Weight	718.364
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((((R)-1-(3-((R)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANECARBOXYLIC ACID

Structure Search

SMILES

CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC2(CC2)C(O)=O)C3=CC=CC(=C3)[C@@H](CC4=NC5=CC(Cl)=CC=C5C=C4)SCC6(CC(O)=O)CC6

InChI

InChIKey=AKJXJILNGDPWRI-VSJLXWSYSA-N

InChI=1S/C40H44ClNO5S2/c1-38(2,47)32-9-4-3-6-26(32)12-15-34(49-25-40(18-19-40)37(45)46)28-7-5-8-29(20-28)35(48-24-39(16-17-39)23-36(43)44)22-31-14-11-27-10-13-30(41)21-33(27)42-31/h3-11,13-14,20-21,34-35,47H,12,15-19,22-25H2,1-2H3,(H,43,44)(H,45,46)/t34-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H44ClNO5S2
Molecular Weight	718.364
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:59:19 UTC 2023` Edited by `admin` on `Sat Dec 16 09:59:19 UTC 2023`
Record UNII	44K8N0N5YD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((((R)-1-(3-((R)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(2-HYDROXYPROPAN-2-YL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANECARBOXYLIC ACID

Common Name

English

1-((((1R)-1-(3-((1R)-1-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)SULFANYL)-2-(7-CHLOROQUINOLIN-2-YL)ETHYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPYL)ACETIC ACID

Systematic Name

English

MONTELUKAST SODIUM IMPURITY D [EP IMPURITY]

Common Name

English

MONTELUKAST MICHAEL ADDUCT R,R-ISOMER

Common Name

English

MONTELUKAST SODIUM IMPURITY, MICHAEL ADDUCTS 1- [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

76960165

Created by admin on Sat Dec 16 09:59:19 UTC 2023 , Edited by admin on Sat Dec 16 09:59:19 UTC 2023

PRIMARY

FDA UNII

44K8N0N5YD

Created by admin on Sat Dec 16 09:59:19 UTC 2023 , Edited by admin on Sat Dec 16 09:59:19 UTC 2023

PRIMARY

Related Record Type Details


					U1O3J18SFL

MONTELUKAST SODIUM

PARENT -> IMPURITY

Comments:

sum of impurities D and E: maximum 0.15 per cent

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP