Bunazosin Hydrochloride

CAT: 0572-TRC-B689585-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B689585-100MGSize:100 mg

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CAS Number

52712-76-2

Synonyms

1-[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-1-butanone Hydrochloride; DDQ; DDQ (pharmaceutical); Detantol; E 643

Hazard Statement

Harmful if swallowed

Smiles

NC1=NC(N2CCCN(C(CCC)=O)CC2)=NC3=CC(OC)=C(OC)C=C31.Cl

Molecular Formula

C19H28ClN5O3

Molecular Weight

409.91

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Bunazosin Hydrochloride

Bunazosin hydrochloride is a member of quinazolines.

CAS Number	52712-76-2
PubChem CID	115305
IUPAC Name	1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
Molecular Formula	C19H28ClN5O3
Molecular Weight	409.9
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	494

SMILES

CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl

InChI

InChI=1S/C19H27N5O3.ClH/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19;/h11-12H,4-10H2,1-3H3,(H2,20,21,22);1H

InChIKey

NBGBEUITCPENLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52712-76-2

CID: 115305

Formula: C19H28ClN5O3

MW: 409.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	409.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	409.1880675
Monoisotopic Mass	409.1880675
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	494
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

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Bunazosin Hydrochloride

Chemical Information

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