ABT-418 HCl 2mg

CAT: 0628-A13688-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13688-2Size:2 mg

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CAS Number

147388-83-8

Chemical Information

ABT-418 hydrochloride

CAS Number	147388-83-8
PubChem CID	10375597
IUPAC Name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride
Molecular Formula	C9H15ClN2O
Molecular Weight	202.68
Topological Polar Surface Area	29.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	163

SMILES

CC1=NOC(=C1)[C@@H]2CCCN2C.Cl

InChI

InChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1

InChIKey

VOXHERKWAIEJQF-QRPNPIFTSA-N

Chemical Structure

2D Structure

CAS: 147388-83-8

CID: 10375597

Formula: C9H15ClN2O

MW: 202.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.68
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	202.0872908
Monoisotopic Mass	202.0872908
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	163
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	2
Compound Is Canonicalized	Yes

Catalog	Name
GTR19198330-01	ABT-418
T10224-01	ABT-418 hydrochloride
HY-105170B-01	ABT-418 (hydrochloride)
MBS387999-01	ABT-418 HCl
TBI1470-5MG	ABT-418 HCl, Nicotinic acetylcholine receptor agonist; Cognition enhancer
M35103-01	TAK-418
C04219	G-418
T69574-01	TRA 418
T68477-01	XL-418