Benactyzine hydrochloride

CAT: 0127-BUP16787-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP16787-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

57-37-4

Synonyms

Tranquilline, Neuroleptone, Amitakon

Purity

=98%

Smiles

Cl.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1

Chemical Information

Benactyzine Hydrochloride

See also: Benactyzine (has active moiety).

CAS Number	57-37-4
PubChem CID	66448
IUPAC Name	2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Molecular Formula	C20H26ClNO3
Molecular Weight	363.9
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	351

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H

InChIKey

ZCEHOOLYWQBGQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57-37-4

CID: 66448

Formula: C20H26ClNO3

MW: 363.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	363.1601214
Monoisotopic Mass	363.1601214
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	351
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1043462-01	Hydrochloride
BUP10427-01	Landiolol hydrochloride
BUP18561	Tetracaine hydrochloride
BUP23581-01	β-Aminopropionitrile hydrochloride
BIO0140-01	Oxytetracycline hydrochloride
PC109149-01	Lomefloxacin Hydrochloride
PC109001	Prasugrel Hydrochloride
PC108965-01	Nebivolol Hydrochloride
OR1029938-01	Tetracaine Hydrochloride
OR1072639-01	Acetimidohydrazide hydrochloride

Catalog	Name
329310	Benactyzine Hydrochloride
HY-B1542AR	Benactyzine hydrochloride (Standard)
MBS5775450	Benactyzine
MBS575039	Benactyzine HCl
300563	Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)
D3190-91G	Deoxynojirimycin Hydrochloride (DNJ Hydrochloride)
C8905-07	O-Cyclopropylmethyl-hydroxylamine, Hydrochloride (Cyclopropylmethoxyamine, Hydrochloride, Cyclopropylmethoxylamine, Hydrochloride)
P9050-45	Propargylamine, Hydrochloride (2-Propynylamine, Hydrochloride)
46264200	Thiamine hydrochloride (Vitamin B1 hydrochloride)
C7050-01	Cysteamine hydrochloride; 2-AminoeThanethiol Hydrochloride; 2-Aminoethane-1-Thiol Hydrochloride; Mercaptamine Hydrochloride