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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H27Cl2NO
Molecular Weight 476.437
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MONTELUKAST CHLORO ALCOHOL IMPURITY

SMILES

CC(C)(O)C1=C(CC[C@H](Cl)C2=CC(\C=C\C3=NC4=CC(Cl)=CC=C4C=C3)=CC=C2)C=CC=C1

InChI

InChIKey=VCNRAWNADFMASI-ZOYLIWTNSA-N
InChI=1S/C29H27Cl2NO/c1-29(2,33)26-9-4-3-7-21(26)13-17-27(31)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-28(22)32-25/h3-12,14-16,18-19,27,33H,13,17H2,1-2H3/b15-10+/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H27Cl2NO
Molecular Weight 476.437
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 16:08:02 UTC 2023
Edited
by admin
on Sat Dec 16 16:08:02 UTC 2023
Record UNII
ZKV33TYL3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONTELUKAST CHLORO ALCOHOL IMPURITY
Common Name English
2-(2-((3S)-3-(3-((1E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-3-CHLOROPROPYL)PHENYL)-2-PROPANOL
Systematic Name English
BENZENEMETHANOL, 2-((3S)-3-CHLORO-3-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15950230
Created by admin on Sat Dec 16 16:08:02 UTC 2023 , Edited by admin on Sat Dec 16 16:08:02 UTC 2023
PRIMARY
FDA UNII
ZKV33TYL3Z
Created by admin on Sat Dec 16 16:08:02 UTC 2023 , Edited by admin on Sat Dec 16 16:08:02 UTC 2023
PRIMARY
CAS
880769-28-8
Created by admin on Sat Dec 16 16:08:02 UTC 2023 , Edited by admin on Sat Dec 16 16:08:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY