D 595

CAT: 0013-GTR19200422-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19200422-03Size:100 mg

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Description

D595 is a phenethylamine-class calcium channel blocker notable for its potent negative inotropic effect, with an EC50 of 794 nmol/l. It serves as a key research tool for investigating calcium channel function in cardiovascular pharmacology, applicable in both in vitro and in vivo experimental models.

CAS Number

16740-29-7

Field of Research

Epigenetics & Chromatin

Smiles

C (CCCN (CCC1=CC (OC) =C (OC) C=C1) C) (C (C) C) (C#N) C2=CC (Cl) =C (Cl) C=C2

Molecular Formula

C25H32Cl2N2O2

Molecular Weight

463.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

D 595

structure given in first source

CAS Number	16740-29-7
PubChem CID	161189
IUPAC Name	2-(3,4-dichlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular Formula	C25H32Cl2N2O2
Molecular Weight	463.4
XLogP	5.1
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	31
Formal Charge	0
Complexity	581

SMILES

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C25H32Cl2N2O2/c1-18(2)25(17-28,20-8-9-21(26)22(27)16-20)12-6-13-29(3)14-11-19-7-10-23(30-4)24(15-19)31-5/h7-10,15-16,18H,6,11-14H2,1-5H3

InChIKey

XQDBPRYSHPUSTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16740-29-7

CID: 161189

Formula: C25H32Cl2N2O2

MW: 463.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	463.4
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	462.1840837
Monoisotopic Mass	462.1840837
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	581
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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D 595

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