AG00DB8V

Name: Macitentan n-butyl analogue
Brand: Angene Chemical
SKU: AG00DB8V

556797-16-1 | Macitentan n-butyl analogue

AG00DB8V

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CAS Number	556797-16-1
Catalog Number	AG00DB8V
Chemical Name	Macitentan n-butyl analogue
IUPAC Name	N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]butane-1-sulfonamide
InChI	InChI=1S/C20H21Br2N5O4S/c1-2-3-10-32(28,29)27-18-17(14-4-6-15(21)7-5-14)19(26-13-25-18)30-8-9-31-20-23-11-16(22)12-24-20/h4-7,11-13H,2-3,8-10H2,1H3,(H,25,26,27)
InChI Key	OZBDTKLWBSATSN-UHFFFAOYSA-N
Molecular Formula	C20H21Br2N5O4S
Molecular Weight	587.2848
SMILES	C1(Br)C=NC(OCCOC2N=CN=C(NS(=O)(=O)CCCC)C=2C2C=CC(Br)=CC=2)=NC=1
Synonyms	Macitentan (n-butyl analogue), Macitentan n-butyl analogue, 556797-16-1, CHEMBL2163694, BDBM50395617, HY-14184A, ZINC95553975, AKOS030526846, NCGC00485960-01, CS-4044,

Complexity	640
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	586.966g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	587.287g/mol
Monoisotopic Mass	584.968g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited