Mirabegron M5 (YM-538852)

CAT: 1596-AR-M01989-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M01989-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1365244-63-8

Synonyms

(R) -N- (4- (2- ((2-hydroxy-2-phenylethyl) amino) ethyl) phenyl) acetamide

Molecular Formula

C18H22N2O2

Molecular Weight

298.39

API Name

Mirabegron

Chemical Information

Mirabegron (m5)

CAS Number	1365244-63-8
PubChem CID	90376256
IUPAC Name	N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
Molecular Formula	C18H22N2O2
Molecular Weight	298.4
XLogP	1.8
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	321

SMILES

CC(=O)NC1=CC=C(C=C1)CCNC[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C18H22N2O2/c1-14(21)20-17-9-7-15(8-10-17)11-12-19-13-18(22)16-5-3-2-4-6-16/h2-10,18-19,22H,11-13H2,1H3,(H,20,21)/t18-/m0/s1

InChIKey

YEOINTNYDAYENZ-SFHVURJKSA-N

Chemical Structure

2D Structure

CAS: 1365244-63-8

CID: 90376256

Formula: C18H22N2O2

MW: 298.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.4
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	298.168127949
Monoisotopic Mass	298.168127949
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
AR-M01993-01	Mirabegron M12 (YM-538858)
AR-M01990-01	Mirabegron M8 (YM-538853)
AR-M01994-01	Mirabegron M13 (YM-538859)
AR-M01995-01	Mirabegron M14 (YM-554028)
AR-M01996-01	Mirabegron M15 (YM-9636324)
AR-M01991-01	Mirabegron M9 (YM-340790)
AR-M01992-01	Mirabegron M11 Lithium Salt (YM-382984)
AR-M01978-01	Mirabegron
AR-M01980-01	Mirabegron Enantiomer (Mirabegron EP Impurity A)
AR-M02980-01	Meta-Mirabegron

Catalog	Name
RM-M154289-01	Mirabegron M5 (Ym-538852)
HY-14773-01	Mirabegron