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Ambroxol Cyclic Impurity Hydrochloride

CAT: 0572-TRC-A575910-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575910-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15942-08-2
Synonyms
Ambroxol Hydrochloride Imp. B (EP); Ambroxol Imp. B (EP); trans-4-(6,8-Dibromo-1,4-dihydroquinazolin-3(2H)-yl)cyclohexanol Hydrochloride; Ambroxol Hydrochloride Imp. B (EP) as Hydrochloride; trans-4-(6,8-Dibromo-1,4-dihydro-3(2H)-quinazolinyl)cyclohexanol monohydrochloride; Ambroxol Hydrochloride Impurity B as Hydrochloride; Ambroxol Impurity B as Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.O[C@@H]1CC[C@H](CC1)N2CNc3c(Br)cc(Br)cc3C2
Molecular Formula
C14 H18 Br2 N2 O . Cl H
Molecular Weight
426.57
InChI
InChI=1S/C14H18Br2N2O.ClH/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11;/h5-6,11-12,17,19H,1-4,7-8H2;1H/t11-,12-;
Additionnal Information
IUPAC name: 4-(6,8-dibromo-2,4-dihydro-1H-quinazolin-3-yl)cyclohexan-1-ol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

trans-4-(6,8-dibromo-1,2-dihydroquinazolin-3(4H)-yl)cyclohexanol hydrochloride

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CAS Number15942-08-2
PubChem CID52914941
IUPAC Name4-(6,8-dibromo-2,4-dihydro-1H-quinazolin-3-yl)cyclohexan-1-ol;hydrochloride
Molecular FormulaC14H19Br2ClN2O
Molecular Weight426.57
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity310
SMILES
C1CC(CCC1N2CC3=C(C(=CC(=C3)Br)Br)NC2)O.Cl
InChI
InChI=1S/C14H18Br2N2O.ClH/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11;/h5-6,11-12,17,19H,1-4,7-8H2;1H
InChIKey
ICLHRFYBPXBCPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-4-(6,8-dibromo-1,2-dihydroquinazolin-3(4H)-yl)cyclohexanol hydrochloride
CAS: 15942-08-2
CID: 52914941
Formula: C14H19Br2ClN2O
MW: 426.57
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.57
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass425.95322
Monoisotopic Mass423.95527
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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