2-Demethoxy-4-methoxy urapidil

CAT: 0926-ID139023-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ID139023-01Size:10 mg

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CAS Number

34661-79-5

Synonyms

6-[[3-[4- (4-Methoxyphenyl) -1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4 (1H,3H) -pyrimidinedione; Urapidil impurity 2

Smiles

CN1C (=CC (=O) N (C1=O) C) NCCCN2CCN (CC2) C3=CC=C (C=C3) OC

Molecular Formula

C20H29N5O3

Molecular Weight

387.48 g/mol

Controlled

Chemical Information

2-Demethoxy-4-methoxy Urapidil

CAS Number	34661-79-5
PubChem CID	71315391
IUPAC Name	6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
Molecular Formula	C20H29N5O3
Molecular Weight	387.5
XLogP	1.5
Topological Polar Surface Area	68.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	580

SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-4-10-24-11-13-25(14-12-24)16-5-7-17(28-3)8-6-16/h5-8,15,21H,4,9-14H2,1-3H3

InChIKey

FSIVWMBBAZRTCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34661-79-5

CID: 71315391

Formula: C20H29N5O3

MW: 387.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.5
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	387.22703980
Monoisotopic Mass	387.22703980
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	580
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ID139024-01	2-Demethoxy-2-chloro urapidil
DVA61276-01	4-Demethoxy-4-hydroxy apixaban
FU34927-01	Urapidil
JCA55439	2-Methoxy-4-methylbenzenesulfonamide
FM70276-01	4-Methoxy-2-methylbenzaldehyde
FBA56680-01	4-Methoxy-2-vinylpyridine
ZFA37971	2-Methoxy-4-methylnicotinonitrile
BAA56870	4-Methoxy-2-nitrophenol
FM00619-01	4-Methoxy-2-nitroaniline
CAA78587-01	2-Methoxy-4-propylphenol

Catalog	Name
TRC-D231130-100MG	2-Demethoxy-4-methoxy Urapidil
CS-T-73714	2-Demethoxy-4-methoxy Urapidil-d4
TRC-D231125-500MG	2-Demethoxy-2-chloro Urapidil
CS-T-73981	2-Demethoxy-2-chloro Urapidil-d4
U815404	Urapidil-d3 (methoxy-d3)
TRC-H990950-250MG	4-Hydroxy Urapidil
RM-U180104-01	Urapidil Impurity 4
CS-T-73802	Urapidil Impurity 2
CS-O-06091	4-demethoxy daunorubicinone
432052-01	4-Demethoxy-4-hydroxy Apixaban