Name: Name:ABT 894
Brand: Angene
SKU: AG00GB17
Rating: 90 (10 reviews)

ABT 894

CAS No.:

799279-80-4

Catalog Number:

AG00GB17

Molecular Formula:

C10H11Cl2N3

Molecular Weight:

244.1204

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

95%

1 week

United States

$657

- +

5mg

95%

1 week

United States

$1257

- +

Product Description

Catalog Number:

AG00GB17

Chemical Name:

ABT 894

CAS Number:

799279-80-4

Molecular Formula:

C10H11Cl2N3

Molecular Weight:

244.1204

MDL Number:

MFCD19443714

IUPAC Name:

(1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane

InChI:

InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1

InChI Key:

MBQYQLWSBRANKQ-IMTBSYHQSA-N

SMILES:

Clc1cc(cnc1Cl)N1C[C@@H]2[C@H](C1)CN2

UNII:

SQC232V4YY

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.119g/mol

Monoisotopic Mass:

243.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Efficacy and safety of the α4β2 neuronal nicotinic receptor agonist ABT-894 in patients with diabetic peripheral neuropathic pain.	Pain 20120401
Synthesis and structure-activity relationship studies of 3,6-diazabicyclo[3.2.0]heptanes as novel alpha4beta2 nicotinic acetylcholine receptor selective agonists.	Journal of medicinal chemistry 20071101

Properties