EVP-6124 hydrochloride

CAT: 0926-AXA99974-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-AXA99974-01Size:25 mg

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CAS Number

550999-74-1

MDL Number

MFCD23098774

Smiles

C1CN2CCC1C (C2) NC (=O) C3=CC4=C (S3) C (=CC=C4) Cl

Molecular Formula

C15H16ClNS·ClH

Molecular Weight

314.28 g/mol

Controlled

Chemical Information

Encenicline Hydrochloride

CAS Number	550999-74-1
PubChem CID	46208542
IUPAC Name	N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide;hydrochloride
Molecular Formula	C16H18Cl2N2OS
Molecular Weight	357.3
Topological Polar Surface Area	60.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	413

SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl.Cl

InChI

InChI=1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1

InChIKey

OIJYTJGIDVTCFF-ZOWNYOTGSA-N

Chemical Structure

2D Structure

CAS: 550999-74-1

CID: 46208542

Formula: C16H18Cl2N2OS

MW: 357.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	356.0516898
Monoisotopic Mass	356.0516898
Topological Polar Surface Area	60.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
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
A3407-10	EVP-6124 hydrochloride
A15087-50	EVP-6124 hydrochloride 50mg
A15087-5	EVP-6124 hydrochloride 5mg
C08993-25mg	Encenicline (EVP-6124) hydrochloride
A15087-100	EVP-6124 hydrochloride 100mg
A15087-25	EVP-6124 hydrochloride 25mg
A15087-10	EVP-6124 hydrochloride 10mg
A15087-1	EVP-6124 hydrochloride 1mg
A15087-10mM-D	EVP-6124 hydrochloride 10mM * 1mL in DMSO
A3406-5	EVP-6124