Bibn 99

CAT: 0931-T26799-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T26799-02Size:50 mg

Selected

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

Quick Request Actions

CAS Number

145301-48-0

Target

Others, AChR

Related Pathways

Others, Neuroscience

Bioactivity

Bibn 99, a lipophilic and selective muscarinic M2 receptor antagonist, has applications in cognitive performance and Alzheimer's Disease.

Smiles

C(CN1CCC(CCCN(C(C(CCC)(C)C)=O)CC)CC1)(=O)N2C=3C(C(=O)NC=4C2=NC=CC4)=CC(Cl)=CC3

Molecular Formula

C31H42ClN5O3

Molecular Weight

568.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Bibn 99

structure given in first source; a highly selective M2 antagonist

CAS Number	145301-48-0
PubChem CID	132712
IUPAC Name	N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
Molecular Formula	C31H42ClN5O3
Molecular Weight	568.1
XLogP	4.5
Topological Polar Surface Area	85.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	40
Formal Charge	0
Complexity	877

SMILES

CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39)

InChIKey

LUPAFPUKESJDMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145301-48-0

CID: 132712

Formula: C31H42ClN5O3

MW: 568.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	568.1
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	567.2976179
Monoisotopic Mass	567.2976179
Topological Polar Surface Area	85.9 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	877
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

Related Products

Catalog	Name
T26798-01	Bibn 140
T73529-01	AS-99
T86690-01	HSD17B13-IN-99
T211259-01	Y-99
T70584-01	FLA-99
T22418-01	S-99
T35901-01	EGFR-IN-99
T36978-01	AS-99 TFA
TXB-00253-01	Ammonium thiocyanate (99.99% trace metals basis)
T36977	AS-99 free base

Alternative Products

Catalog	Name
MBS5776526	Bibn 99
GTR19198091-01	Bibn 140
4561/10	BIBN 4096
HY-119953	BIBN-99
254747	BIBN 4096 discontinued. See 018736

Bibn 99

Chemical Information

Related Products

Alternative Products

Popular Products