BK 129

CAT: 0931-T26830-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T26830-02Size:50 mg

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

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CAS Number

105919-73-1

Target

Others, Calcium Channel

Related Pathways

Metabolism, Others, Membrane transporter/Ion channel

Bioactivity

BK 129 is a local anesthetic with relaxant properties. BK 129 inhibits Ca2+ entry into the smooth muscle cell and Ca2+ release from sarcoplasmic reticulum.

Smiles

N(C(OC(CN1CCCCCC1)COC)=O)C2=C(OCCCCC)C=CC=C2

Molecular Formula

C22H36N2O4

Molecular Weight

392.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

BK 129

RN given refers to the parent compound

CAS Number	105919-73-1
PubChem CID	129145
IUPAC Name	[1-(azepan-1-yl)-3-methoxypropan-2-yl] N-(2-pentoxyphenyl)carbamate
Molecular Formula	C22H36N2O4
Molecular Weight	392.5
XLogP	4.4
Topological Polar Surface Area	60
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	28
Formal Charge	0
Complexity	413

SMILES

CCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCCC2)COC

InChI

InChI=1S/C22H36N2O4/c1-3-4-11-16-27-21-13-8-7-12-20(21)23-22(25)28-19(18-26-2)17-24-14-9-5-6-10-15-24/h7-8,12-13,19H,3-6,9-11,14-18H2,1-2H3,(H,23,25)

InChIKey

VVNITDZDOPJHAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 105919-73-1

CID: 129145

Formula: C22H36N2O4

MW: 392.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	392.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	392.26750763
Monoisotopic Mass	392.26750763
Topological Polar Surface Area	60 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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