Bromhexine Related Compound 4

CAT: 1596-AR-B02104-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02104-01Size:10 Units

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CAS Number

21237-84-3

Synonyms

6,8-dibromo-3-cyclohexyl-3,4-dihydroquinazolin-2 (1H) -one

Molecular Formula

C14H16Br2N2O

Molecular Weight

388.1

API Name

Bromhexine

Chemical Information

6,8-Dibromo-3-cyclohexyl-3,4-dihydro-2(1H)-quinazolinone

CAS Number	21237-84-3
PubChem CID	129318363
IUPAC Name	6,8-dibromo-3-cyclohexyl-1,4-dihydroquinazolin-2-one
Molecular Formula	C14H16Br2N2O
Molecular Weight	388.10
XLogP	3.9
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	346

SMILES

C1CCC(CC1)N2CC3=C(C(=CC(=C3)Br)Br)NC2=O

InChI

InChI=1S/C14H16Br2N2O/c15-10-6-9-8-18(11-4-2-1-3-5-11)14(19)17-13(9)12(16)7-10/h6-7,11H,1-5,8H2,(H,17,19)

InChIKey

KOZPRTSDKAZDSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21237-84-3

CID: 129318363

Formula: C14H16Br2N2O

MW: 388.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.10
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	387.96089
Monoisotopic Mass	385.96294
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346
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
AR-B02103-01	Bromhexine Related Compound 3
AR-B02100-01	Bromhexine Related Compound 1 HCl
AR-B02101-01	Bromhexine Related Compound 2 HCl
AR-B07851-01	Bromhexine Impurity 4
AR-I03520-01	Indazole Related Compound 4
AR-I01350-01	Imidafenacin Related Compound 4
AR-F01060-01	Faropenem Related Compound 4
AR-Z00951-01	Everolimus Related Compound 4
AR-D07033-01	Difenacoum Related Compound 4
AR-C08966-01	Cytidine Related Compound 4

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