BMS 345541 trifluoroacetate

CAT: 0926-VSD26179-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-VSD26179-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2320261-79-6

Smiles

CC1=CC2=C (C=C1) N=C (C3=NC=C (N23) C) NCCN.C (=O) (C (F) (F) F) O.C (=O) (C (F) (F) F) O

Molecular Formula

C18H19F6N5O4

Molecular Weight

483.4 g/mol

Controlled

Chemical Information

N1-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)-1,2-ethanediamine,trifluoroacetatesalt

CAS Number	2320261-79-6
PubChem CID	132285172
IUPAC Name	N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine;bis(2,2,2-trifluoroacetic acid)
Molecular Formula	C18H19F6N5O4
Molecular Weight	483.4
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	394

SMILES

CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H17N5.2C2HF3O2/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15;2*3-2(4,5)1(6)7/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18);2*(H,6,7)

InChIKey

OWHLFAMVTWAXBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2320261-79-6

CID: 132285172

Formula: C18H19F6N5O4

MW: 483.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	483.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	3
Exact Mass	483.13412308
Monoisotopic Mass	483.13412308
Topological Polar Surface Area	143 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	394
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	3
Compound Is Canonicalized	Yes

Catalog	Name
XWA75723-01	BMS 345541
VSA43058-01	IKK Inhibitor III, BMS-345541
SYB44819-01	Galnon trifluoroacetate
PP50564-01	Teduglutide trifluoroacetate
HEA32629-01	Methylamine trifluoroacetate
FP110137-01	Penetratin trifluoroacetate
BGA80479-01	AC253 trifluoroacetate
BC183366-01	Cyclosomatostatin trifluoroacetate
PJ00001-01	JT003 trifluoroacetate
ZMA78002-01	Cblc000 trifluoroacetate

Catalog	Name
C13150-25mg	BMS-345541
254790-01	BMS 345541