Denaverine

CAT: 1596-AR-D06764-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06764-01Size:10 Units

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CAS Number

3579-62-2

Molecular Formula

C24H33NO3

Molecular Weight

383.53

API Name

Denaverine

Chemical Information

Denaverine

Denaverine is a diarylmethane.

CAS Number	3579-62-2
PubChem CID	71130
IUPAC Name	2-(dimethylamino)ethyl 2-(2-ethylbutoxy)-2,2-diphenylacetate
Molecular Formula	C24H33NO3
Molecular Weight	383.5
XLogP	5.3
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	28
Formal Charge	0
Complexity	417

SMILES

CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C

InChI

InChI=1S/C24H33NO3/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4/h7-16,20H,5-6,17-19H2,1-4H3

InChIKey

FPTOUQZVCUIPHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3579-62-2

CID: 71130

Formula: C24H33NO3

MW: 383.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.5
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	383.24604391
Monoisotopic Mass	383.24604391
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	417
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

Catalog	Name
RM-D270000-01	Denaverine
DAA32106-01	Denaverine hydrochloride
RM-D270001-01	Denaverine Impurity 1
RM-D270003-01	Denaverine Impurity 3
414161	2- (Dedimethyldeamino) deethyl Denaverine
TRC-D228510-5G	2-(Dedimethyldeamino)deethyl Denaverine
RM-D270002-01	Denaverine Impurity 1; Pargeverine Impurity 1