Products for Research Use Only
RegisterLogin

N-Despropyl-N-methyl Macitentan

CAT: 1596-AR-M01019-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-M01019-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
441798-25-0
Synonyms
N-[5- (4-Bromophenyl) -6-[2-[ (5-bromo-2-pyrimidinyl) oxy]ethoxy]-4-pyrimidinyl]-N'-methylsulfamide; N-Despropyl-N-methyl Macitentan
Molecular Formula
C17H16Br2N6O4S
Molecular Weight
560.23
API Name
Macitentan

Chemical Information

N-Despropyl-N-methyl Macitentan
CAS Number441798-25-0
PubChem CID21041267
IUPAC Name5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(methylsulfamoyl)pyrimidin-4-amine
Molecular FormulaC17H16Br2N6O4S
Molecular Weight560.2
XLogP2.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity612
SMILES
CNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H16Br2N6O4S/c1-20-30(26,27)25-15-14(11-2-4-12(18)5-3-11)16(24-10-23-15)28-6-7-29-17-21-8-13(19)9-22-17/h2-5,8-10,20H,6-7H2,1H3,(H,23,24,25)
InChIKey
BRSITRUZDCGGKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Despropyl-N-methyl Macitentan
CAS: 441798-25-0
CID: 21041267
Formula: C17H16Br2N6O4S
MW: 560.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.2
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass559.93000
Monoisotopic Mass557.93205
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-M01012-01N-Despropyl Macitentan
AR-M01013-01N-Despropyl Macitentan-d4
AR-M01020-01N-Despropyl-N-ethyl Macitentan
AR-G01091-01N-Despropyl Gamithromycin
AR-R01956-01N-Despropyl Ropinirole
AR-M03745-01N-Nitroso Macitentan
AR-P03013-01N-Despropyl Propafenone HCl
AR-R01962-01N-Despropyl Ropinirole HCl
AR-P29459-01(RS) -N-Despropyl Pramipexole
AR-P14913-01N-Despropyl Propafenone Oxalate Salt

Alternative Products

CatalogName
458877-01N-Despropyl-N-methyl Macitentan
458874-01N-Despropyl-macitentan
TRC-D297305-50MGN-Despropyl Macitentan
TRC-D297345-50MGN-Despropyl-N-ethyl Macitentan
TMIH-0383-01N-Despropyl Macitentan-d4
458875N-Despropyl-macitentan-d4
CS-O-44515N-Nitroso Macitentan
HY-14184A-01Macitentan (n-butyl analogue)
TRC-M474720-50MGMacitentan-Pyrimidine-N-propyl
CS-O-50177Macitentan Hydroxy N-Nitroso N-Propyl Impurity

Popular Products