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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H24ClNO2
Molecular Weight 441.949
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone

SMILES

CC(=O)C1=C(CC[C@H](O)C2=CC=CC(\C=C\C3=NC4=C(C=CC(Cl)=C4)C=C3)=C2)C=CC=C1

InChI

InChIKey=NZSTWJFMJOWIJY-CWBDRXANSA-N
InChI=1S/C28H24ClNO2/c1-19(31)26-8-3-2-6-21(26)12-16-28(32)23-7-4-5-20(17-23)9-14-25-15-11-22-10-13-24(29)18-27(22)30-25/h2-11,13-15,17-18,28,32H,12,16H2,1H3/b14-9+/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H24ClNO2
Molecular Weight 441.949
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 20:07:04 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:04 GMT 2023
Record UNII
2W3L4Y54XU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone
Systematic Name English
Ethanone, 1-[2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]-, (S)-
Systematic Name English
Montelukast 3S hydroxy methyl ketone
Common Name English
Ethanone, 1-[2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]-, [S-(E)]-
Systematic Name English
Ethanone, 1-[2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
2W3L4Y54XU
Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023
PRIMARY
PUBCHEM
10646833
Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023
PRIMARY
CAS
184764-13-4
Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023
PRIMARY
CAS
144551-23-5
Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY