Branaplam 100mg

CAT: 0628-A20714-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A20714-100Size:100 mg

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CAS Number

1562338-42-4

Chemical Information

Branaplam

Branaplam is under investigation in clinical trial NCT02268552 (An Open Label Study of LMI070 (Branaplam) in Type 1 Spinal Muscular Atrophy (SMA)).

CAS Number	1562338-42-4
PubChem CID	135565042
IUPAC Name	5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Molecular Formula	C22H27N5O2
Molecular Weight	393.5
XLogP	2.7
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	541

SMILES

CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C

InChI

InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)

InChIKey

STWTUEAWRAIWJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1562338-42-4

CID: 135565042

Formula: C22H27N5O2

MW: 393.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	393.21647512
Monoisotopic Mass	393.21647512
Topological Polar Surface Area	96 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	541
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

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Branaplam 100mg

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