SGC2085 Hydrochloride

CAT: 0926-WXC90849-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-WXC90849-01Size:10 mg

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CAS Number

1821908-49-9

Smiles

CC1=CC (=CC (=C1) OC2=C (C=C (C=C2) CNC (=O) [C@H] (C) N) C) C.Cl

Molecular Formula

C19H24N2O2•HCl

Molecular Weight

312.41 g/mol

Controlled

Chemical Information

(S)-2-amino-N-(4-(3,5-dimethylphenoxy)-3-methylbenzyl)propanamide hydrochloride

CAS Number	1821908-49-9
PubChem CID	124081151
IUPAC Name	(2S)-2-amino-N-[[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride
Molecular Formula	C19H25ClN2O2
Molecular Weight	348.9
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	378

SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)CNC(=O)[C@H](C)N)C)C.Cl

InChI

InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1

InChIKey

OQGSBQJSJRLNQH-RSAXXLAASA-N

Chemical Structure

2D Structure

CAS: 1821908-49-9

CID: 124081151

Formula: C19H25ClN2O2

MW: 348.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	348.1604557
Monoisotopic Mass	348.1604557
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	378
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

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Catalog	Name
466059-01	SGC2085 Hydrochloride
HY-100565A	SGC2085 (hydrochloride)
A22151-50	SGC2085 hydrochloride 50mg
A22151-1	SGC2085 hydrochloride 1mg
A22151-10	SGC2085 hydrochloride 10mg
A22151-100	SGC2085 hydrochloride 100mg
A22151-25	SGC2085 hydrochloride 25mg
A22151-5	SGC2085 hydrochloride 5mg
A22151-2	SGC2085 hydrochloride 2mg
A22151-10mM-D	SGC2085 hydrochloride 10mM * 1mL in DMSO