2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(methanesulfonyl)oxy]propyl]phenyl]-2-propanol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H30ClNO4S
Molecular Weight	536.082
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(methanesulfonyl)oxy]propyl]phenyl]-2-propanol

Structure Search

SMILES

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

InChI

InChIKey=XRINFBSWQGJTLT-GCSXDFHUSA-N

InChI=1S/C30H30ClNO4S/c1-30(2,33)27-10-5-4-8-22(27)14-18-29(36-37(3,34)35)24-9-6-7-21(19-24)11-16-26-17-13-23-12-15-25(31)20-28(23)32-26/h4-13,15-17,19-20,29,33H,14,18H2,1-3H3/b16-11+/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H30ClNO4S
Molecular Weight	536.082
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 20:12:52 GMT 2023` Edited by `admin` on `Sat Dec 16 20:12:52 GMT 2023`
Record UNII	6XD8BS27DD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(methanesulfonyl)oxy]propyl]phenyl]-2-propanol

Systematic Name

English

Benzenepropanol, α-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, α-methanesulfonate, (S)-

Systematic Name

English

Montelukast Impurity 5

Common Name

English

Benzenepropanol, α-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, α-methanesulfonate, (αS)-

Systematic Name

English

2-(2-(3(S)-(3-(2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(methanesulfonyl-1-oxy)methylethyl)phenyl)-2-propanol

Systematic Name

English

Benzenepropanol, α-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, 1-methanesulfonate, (αS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

6XD8BS27DD

Created by admin on Sat Dec 16 20:12:52 GMT 2023 , Edited by admin on Sat Dec 16 20:12:52 GMT 2023

PRIMARY

CAS

807638-71-7

Created by admin on Sat Dec 16 20:12:52 GMT 2023 , Edited by admin on Sat Dec 16 20:12:52 GMT 2023

PRIMARY

PUBCHEM

24939051

Created by admin on Sat Dec 16 20:12:52 GMT 2023 , Edited by admin on Sat Dec 16 20:12:52 GMT 2023

PRIMARY

CAS

169954-93-2

Created by admin on Sat Dec 16 20:12:52 GMT 2023 , Edited by admin on Sat Dec 16 20:12:52 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY