Products for Research Use Only
RegisterLogin

Verlukast-d6

CAT: 0572-TRC-V128502-1MGSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-V128502-1MGSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
153698-86-3
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(C(=O)CCSCS[C@H](CC(=O)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C([2H])([2H])[2H]
Molecular Formula
C26 2H6 H21 Cl N2 O3 S2
Molecular Weight
521.12
InChI
InChI=1S/C26H27ClN2O3S2/c1-29(2)25(30)12-13-33-17-34-24(16-26(31)32)20-5-3-4-18(14-20)6-10-22-11-8-19-7-9-21(27)15-23(19)28-22/h3-11,14-15,24H,12-13,16-17H2,1-2H3,(H,31,32)/b10-6+/t24-/m1/s1/i1D3,2D3
Additionnal Information
IUPAC name: (3R)-3-[[3-[bis(trideuteriomethyl)amino]-3-oxopropyl]sulfanylmethylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Verlukast-d6
CAS Number153698-86-3
PubChem CID45040684
IUPAC Name3-[(R)-[3-[bis(trideuteriomethyl)amino]-3-oxopropyl]sulfanyl-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid
Molecular FormulaC26H27ClN2O3S2
Molecular Weight521.1
XLogP5.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity693
SMILES
[2H]C([2H])([2H])N(C(=O)CCS[C@@H](C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O)C([2H])([2H])[2H]
InChI
InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1/i1D3,2D3
InChIKey
AXUZQJFHDNNPFG-KHHVWKNZSA-N
Chemical Structure
2D Structure
2D structure of Verlukast-d6
CAS: 153698-86-3
CID: 45040684
Formula: C26H27ClN2O3S2
MW: 521.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.1
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass520.1528232
Monoisotopic Mass520.1528232
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity693
Isotope Atom Count6
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-V128500-25MGVerlukast
TRC-V128500-10MGVerlukast
TRC-V128500-50MGVerlukast
TRC-M260801-5MGMethoxychlor-d6 (dimethoxy-d6)
TRC-B341001-0.5MGBezafibrate-d6 (dimethyl-d6)
D557101Doxofylline-d6 (dimethyl-d6)
TRC-B341001-1MGBezafibrate-d6 (dimethyl-d6)
TRC-M260801-0.5MGMethoxychlor-d6 (dimethoxy-d6)
TRC-F421101-200MGFlucythrinate D6 (Dimethyl D6)
TRC-B341001-5MGBezafibrate-d6 (dimethyl-d6)

Alternative Products

CatalogName
sc-213153Verlukast-d6
GTR19203490-01Verlukast
MBS386877-01MK-0679 (Verlukast)
A11607-100MK-0679 (Verlukast) 100mg
A11607-5MK-0679 (Verlukast) 5mg
A11607-50MK-0679 (Verlukast) 50mg
A11607-25MK-0679 (Verlukast) 25mg
A11607-10MK-0679 (Verlukast) 10mg
CS-O-59102Fruquintinib-d6 (Dimethoxy-d6)
UYB80274-01Bezafibrate-d6 (dimethyl-d6)

Popular Products