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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H32ClNO3S
Molecular Weight 570.141
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MONTELUKAST METHYL KETONE

SMILES

CC(=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=DYLOVNSFPNMSRY-OTVRWNPNSA-N
InChI=1S/C34H32ClNO3S/c1-23(37)30-8-3-2-6-25(30)12-16-32(40-22-34(17-18-34)21-33(38)39)27-7-4-5-24(19-27)9-14-29-15-11-26-10-13-28(35)20-31(26)36-29/h2-11,13-15,19-20,32H,12,16-18,21-22H2,1H3,(H,38,39)/b14-9+/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H32ClNO3S
Molecular Weight 570.141
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:59:20 UTC 2023
Edited
by admin
on Sat Dec 16 09:59:20 UTC 2023
Record UNII
42YE9Y3PHY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONTELUKAST METHYL KETONE
Common Name English
CYCLOPROPANEACETIC ACID, 1-((((1R)-3-(2-ACETYLPHENYL)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)THIO)METHYL)-
Systematic Name English
MONTELUKAST SODIUM, METHYLKETONE IMPURITY- [USP IMPURITY]
Common Name English
MONTELUKAST SODIUM IMPURITY F [EP IMPURITY]
Common Name English
(1-((((1R)-3-(2-ACETYLPHENYL)-1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)PROPYL)SULFANYL)METHYL)CYCLOPROPYL)ACETIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60239556
Created by admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
PRIMARY
PUBCHEM
16719289
Created by admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
PRIMARY
FDA UNII
42YE9Y3PHY
Created by admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
PRIMARY
CAS
937275-23-5
Created by admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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