2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H32ClNO4S
Molecular Weight	586.14
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST

Structure Search

SMILES

COC(=O)C1=CC=CC=C1CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=C3

InChI

InChIKey=FVMXWBDOMBDOJN-JLBZDQGGSA-N

InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H32ClNO4S
Molecular Weight	586.14
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:57:56 UTC 2023` Edited by `admin` on `Sat Dec 16 09:57:56 UTC 2023`
Record UNII	KUW20633YM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST

Common Name

English

MONTELUKAST METHYL ESTER

Common Name

English

MONTELUKAST SODIUM IMPURITY H [EP IMPURITY]

Common Name

English

(+)-DES(1-HYDROXY-1-METHYLETHYL) METHYCARBOXY MONTELUKAST

Common Name

English

(1-((((1R)-1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-(2-(METHOXYCARBONYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPYL)ACETIC ACID

Systematic Name

English

DES(1-HYDROXY-1-METHYLETHYL) METHYCARBOXY MONTELUKAST

Common Name

English

BENZOIC ACID, 2-((3R)-3-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-3-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)-, 1-METHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

11556341

Created by admin on Sat Dec 16 09:57:56 UTC 2023 , Edited by admin on Sat Dec 16 09:57:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID20234345

Created by admin on Sat Dec 16 09:57:56 UTC 2023 , Edited by admin on Sat Dec 16 09:57:56 UTC 2023

PRIMARY

CAS

851755-56-1

Created by admin on Sat Dec 16 09:57:56 UTC 2023 , Edited by admin on Sat Dec 16 09:57:56 UTC 2023

PRIMARY

FDA UNII

KUW20633YM

Created by admin on Sat Dec 16 09:57:56 UTC 2023 , Edited by admin on Sat Dec 16 09:57:56 UTC 2023

PRIMARY

Related Record Type Details


					U1O3J18SFL

MONTELUKAST SODIUM

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP