Ambroxol-d5

CAT: 1596-AR-A06120-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A06120-05Size:150

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CAS Number

1246818-80-3

Synonyms

(1r,4r) -4- ((2-amino-3,5-dibromobenzyl) amino) cyclohexan-1,2,2,6,6-d5-1-ol

Molecular Formula

C13H13D5Br2N2O

Molecular Weight

383.14

API Name

Ambroxol

Chemical Information

rac-cis-Ambroxol-d5

CAS Number	1246818-80-3
PubChem CID	45038101
IUPAC Name	4-[(2-amino-3,5-dibromophenyl)methylamino]-1,2,2,6,6-pentadeuteriocyclohexan-1-ol
Molecular Formula	C13H18Br2N2O
Molecular Weight	383.13
XLogP	2.6
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	259

SMILES

[2H]C1(CC(CC(C1([2H])O)([2H])[2H])NCC2=C(C(=CC(=C2)Br)Br)N)[2H]

InChI

InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/i3D2,4D2,11D

InChIKey

JBDGDEWWOUBZPM-SCGGTJNOSA-N

Chemical Structure

2D Structure

CAS: 1246818-80-3

CID: 45038101

Formula: C13H18Br2N2O

MW: 383.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.13
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	383.00792
Monoisotopic Mass	381.00997
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259
Isotope Atom Count	5
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-A01869-01	Ambroxol EP Impurity C-d5
AR-A01859-01	Ambroxol
AR-A01846-01	Ambroxol HCl
AR-A01851-01	Ambroxol-d10
AR-A04586-01	Ambroxol Monobromine
AR-A01850-01	Ambroxol EP Impurity D HCl (cis-Ambroxol HCl)
AR-A08063-01	N-Nitroso-Ambroxol
AR-A01860-01	Ambroxol Impurity 3
AR-A06103-01	Ambroxol Impurity 36
AR-A06096-01	Ambroxol Impurity 28

Catalog	Name
463973	Ambroxol-d5
CS-O-62500	Rac-Ambroxol-d5
RM-A180538-01	Ambroxol-D5 Hydrochloride
HY-B1039AS-01	Ambroxol-d5 (hydrochloride)
CS-O-58369	N-Nitroso Ambroxol-d5
ESS0409-01	Rac-trans-Ambroxol-D5
SYB67983-01	Rac-cis-Ambroxol-d5
CS-O-63677	Rac-Ambroxol-d5 Hydrochloride
441313-01	Ambroxol O-glucuronide-d5
sc-219916	Rac-trans Ambroxol-d5