Rac-cis-Ambroxol-d5

CAT: 0926-SYB67983-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-SYB67983-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1217679-83-8

Smiles

C1CC (CCC1NCC2=C (C (=CC (=C2) Br) Br) N) O

Molecular Formula

C13H18Br2N2O

Molecular Weight

383.13 g/mol

Controlled

Chemical Information

Ambroxol

Ambroxol is an aromatic amine.

CAS Number	1217679-83-8
PubChem CID	2132
IUPAC Name	4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
Molecular Formula	C13H18Br2N2O
Molecular Weight	378.10
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

C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O

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

InChIKey

JBDGDEWWOUBZPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1217679-83-8

CID: 2132

Formula: C13H18Br2N2O

MW: 378.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.10
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	377.97654
Monoisotopic Mass	375.97859
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259
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
UWC96029-01	Rac-aS-703026-d5
QYB34394-01	Rac Talinolol-d5
KCA12488-01	Rac-Methamphetamine-d5
WDC60312	Rac Styrene-d5 oxide
RYB92729-01	Rac Fenfluramine-d5 hydrochloride
SYB21962-01	9-Cis,13-cis-retinol 15-acetate-d5
SYB80265-01	Rac cis-Moxifloxacin-d4 Hydrochloride
LFA76543-01	Rac-3,4-Methylenedioxymethamphetamine-d5
FR27590-01	Rac- (cis/trans) Donepezil N-oxide
FA17345	Ambroxol hydrochloride

Catalog	Name
sc-479442	Rac-cis-Ambroxol-d5
sc-479440	Rac-cis-Ambroxol
CS-O-62500	Rac-Ambroxol-d5
TRC-A575902-1MG	rac-trans-Ambroxol-d5
CS-O-63677	Rac-Ambroxol-d5 Hydrochloride
sc-219916	Rac-trans Ambroxol-d5
CS-F-00257	Rac-trans-Ambroxol-D5 Hydrochloride
CS-O-62590	N-Nitroso rac-Ambroxol-d5
CS-O-63676	Rac-Ambroxol Impurity 31-d5
ESS0410-01	Rac-trans-Ambroxol-D5 HCl