AC 915

CAT: 0013-GTR19198321-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19198321-01Size:25 mg

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Description

AC 915

CAS Number

259729-84-5

Smiles

C (C (OCCN1CCCC1) =O) C2=CC (Cl) =C (Cl) C=C2

Molecular Formula

C14H17Cl2NO2

Molecular Weight

302.2

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

AC-915

binds sigma(1) opioid receptors; structure in first source

CAS Number	259729-84-5
PubChem CID	5236783
IUPAC Name	2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
Molecular Formula	C14H17Cl2NO2
Molecular Weight	302.2
XLogP	3.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	295

SMILES

C1CCN(C1)CCOC(=O)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2

InChIKey

CYVORFBBJKNNDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 259729-84-5

CID: 5236783

Formula: C14H17Cl2NO2

MW: 302.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	302.2
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	301.0636342
Monoisotopic Mass	301.0636342
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	295
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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Chemical Information

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