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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H36ClNO4S
Molecular Weight 602.183
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

SMILES

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

InChI

InChIKey=CHRNGXJVKOMERP-FPUIOERCSA-N
InChI=1S/C35H36ClNO4S/c1-34(2,41)29-9-4-3-8-28(29)31(38)20-32(42-22-35(16-17-35)21-33(39)40)25-7-5-6-23(18-25)10-14-27-15-12-24-11-13-26(36)19-30(24)37-27/h3-15,18-19,31-32,38,41H,16-17,20-22H2,1-2H3,(H,39,40)/b14-10+/t31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H36ClNO4S
Molecular Weight 602.183
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:16:06 UTC 2023
Edited
by admin
on Sat Dec 16 15:16:06 UTC 2023
Record UNII
D554UP7RBJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID
Systematic Name English
CYCLOPROPANEACETIC ACID, 1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-
Systematic Name English
MONTELUKAST METABOLITE 5A
Common Name English
Code System Code Type Description
CAS
184763-26-6
Created by admin on Sat Dec 16 15:16:06 UTC 2023 , Edited by admin on Sat Dec 16 15:16:06 UTC 2023
PRIMARY
FDA UNII
D554UP7RBJ
Created by admin on Sat Dec 16 15:16:06 UTC 2023 , Edited by admin on Sat Dec 16 15:16:06 UTC 2023
PRIMARY
PUBCHEM
11801753
Created by admin on Sat Dec 16 15:16:06 UTC 2023 , Edited by admin on Sat Dec 16 15:16:06 UTC 2023
PRIMARY
Related Record Type Details
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