Products for Research Use Only
RegisterLogin

(S)-Montelukast

CAT: 0572-TRC-M727000-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M727000-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
220927-27-5
Synonyms
Cyclopropaneacetic acid, 1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-; 1-[[[(1S)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thi
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(O)c1ccccc1CC[C@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
Molecular Formula
C35 H36 Cl N O3 S
Molecular Weight
586.183
InChI
InChI=1S/C35H36ClNO3S/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/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m0/s1
Additionnal Information
IUPAC name: 2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Montelukast, (S)-
CAS Number220927-27-5
PubChem CID6540473
IUPAC Name2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular FormulaC35H36ClNO3S
Molecular Weight586.2
XLogP7.7
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity891
SMILES
CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
InChI
InChI=1S/C35H36ClNO3S/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/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m0/s1
InChIKey
UCHDWCPVSPXUMX-OYLFJNDKSA-N
Chemical Structure
2D Structure
2D structure of Montelukast, (S)-
CAS: 220927-27-5
CID: 6540473
Formula: C35H36ClNO3S
MW: 586.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.2
XLogP37.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass585.2104429
Monoisotopic Mass585.2104429
Topological Polar Surface Area95.7 Ų
Heavy Atom Count41
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-M568030-5MGMontelukast Styrene
M568004Montelukast-d6
TRC-M568035-25MGMontelukast Sulfone
TRC-M264525-100MGMethoxy Montelukast
TRC-M568035-10MGMontelukast Sulfone
TRC-M568030-1MGMontelukast Styrene
TRC-M568005-5MGcis-Montelukast
TRC-M568035-5MGMontelukast Sulfone
TRC-M568005-1MGcis-Montelukast
TRC-D549215-1MGDihydro Montelukast

Alternative Products

CatalogName
VIA92727-01(S) -Montelukast
sc-20655721 (S) -Hydroxy Montelukast
AR-M02230-01Montelukast R, S-Isomer (Montelukast EP Impurity E)
sc-49152621 (S) -Hydroxy Montelukast-d6
MXB58658(R, S) -Montelukast bis-sulfide
MBS6101417-0121(S)-Hydroxy Montelukast-d6
FM137467-01Montelukast

Popular Products