ABT-639 2mg

CAT: 0628-A12330-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A12330-2Size:2 mg

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CAS Number

1235560-28-7

Chemical Information

Abt-639

ABT-639 is under investigation in clinical trial NCT01345045 (A Multicenter Study Comparing the Analgesic Effects and Safety of ABT-639 Compared to Placebo in Subjects With Diabetic Neuropathic Pain).

CAS Number	1235560-28-7
PubChem CID	46851313
IUPAC Name	5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
Molecular Formula	C20H20ClF2N3O3S
Molecular Weight	455.9
XLogP	3.1
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	737

SMILES

C1C[C@@H]2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1

InChIKey

AGPIHNZOZNKRGT-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 1235560-28-7

CID: 46851313

Formula: C20H20ClF2N3O3S

MW: 455.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	455.9
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	455.0881967
Monoisotopic Mass	455.0881967
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	737
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	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A12330-1	ABT-639 1mg
A12330-500	ABT-639 500mg
A12330-100	ABT-639 100mg
A12330-10	ABT-639 10mg
A12330-50	ABT-639 50mg
A12330-25	ABT-639 25mg
A12330-5	ABT-639 5mg
A12571-1	ABT-639 hydrochloride 1mg
A12571-50	ABT-639 hydrochloride 50mg
A12571-25	ABT-639 hydrochloride 25mg

Alternative Products

Catalog	Name
MBS131424	ABT-639 (ABT639; ABT 639)
BA6580-1	ABT-639
6770/10	ABT 639
KZB56031-01	Abt-639 hydrochloride

ABT-639 2mg

Chemical Information

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