Odapipam

CAT: 0926-GFA79663-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-GFA79663-01Size:5 mg

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CAS Number

131796-63-9

MDL Number

MFCD00868632

Smiles

CN1CCC2=CC (=C (C=C2C (C1) C3=CC=CC4=C3OCC4) O) Cl

Molecular Formula

C19H20ClNO2

Molecular Weight

329.8 g/mol

Controlled

Chemical Information

Odapipam

Odapipam is a small molecule drug. Odapipam has a monoisotopic molecular weight of 329.12 Da.

CAS Number	131796-63-9
PubChem CID	132421
IUPAC Name	(5S)-8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Formula	C19H20ClNO2
Molecular Weight	329.8
XLogP	4
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	420

SMILES

CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OCC4)O)Cl

InChI

InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3/t16-/m1/s1

InChIKey

SKMVRXPBCSTNKE-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 131796-63-9

CID: 132421

Formula: C19H20ClNO2

MW: 329.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.8
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	329.1182566
Monoisotopic Mass	329.1182566
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	420
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
HY-129059	Odapipam