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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H38ClNO3S
Molecular Weight 588.199
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROMONTELUKAST

SMILES

CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC(CCC4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3

InChI

InChIKey=QYOIIAUGMZLCEO-JGCGQSQUSA-N
InChI=1S/C35H38ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-9,11-12,14,16,20-21,32,40H,10,13,15,17-19,22-23H2,1-2H3,(H,38,39)/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H38ClNO3S
Molecular Weight 588.199
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:45:28 UTC 2023
Edited
by admin
on Sat Dec 16 18:45:28 UTC 2023
Record UNII
EFE2Q6HPX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROMONTELUKAST
Common Name English
CYCLOPROPANEACETIC ACID, 1-((((1R)-1-(3-(2-(7-CHLORO-2-QUINOLINYL)ETHYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
16758208
Created by admin on Sat Dec 16 18:45:28 UTC 2023 , Edited by admin on Sat Dec 16 18:45:28 UTC 2023
PRIMARY
FDA UNII
EFE2Q6HPX8
Created by admin on Sat Dec 16 18:45:28 UTC 2023 , Edited by admin on Sat Dec 16 18:45:28 UTC 2023
PRIMARY
CAS
142147-67-9
Created by admin on Sat Dec 16 18:45:28 UTC 2023 , Edited by admin on Sat Dec 16 18:45:28 UTC 2023
PRIMARY
Related Record Type Details
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