Ambroxol Impurity 12

CAT: 1596-AR-A01870-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01870-02Size:25 Units

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

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CAS Number

73220-00-5

Synonyms

(R) -3,5-dibromo-N- ((1-ethylpyrrolidin-2-yl) methyl) -2,6-dimethoxybenzamide

Molecular Formula

C16H22Br2N2O3

Molecular Weight

450.17

API Name

Ambroxol

Chemical Information

Benzamide, 3,5-dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, (R)-(+)-

CAS Number	73220-00-5
PubChem CID	51764
IUPAC Name	3,5-dibromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Molecular Formula	C16H22Br2N2O3
Molecular Weight	450.2
XLogP	2.8
Topological Polar Surface Area	50.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	384

SMILES

CCN1CCC[C@@H]1CNC(=O)C2=C(C(=CC(=C2OC)Br)Br)OC

InChI

InChI=1S/C16H22Br2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m1/s1

InChIKey

JCBGKPTVKBFSNZ-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 73220-00-5

CID: 51764

Formula: C16H22Br2N2O3

MW: 450.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	450.2
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	449.99767
Monoisotopic Mass	447.99972
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	384
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes