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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18Br2N2O
Molecular Weight 378.103
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMBROXOL, CIS-

SMILES

NC1=C(Br)C=C(Br)C=C1CN[C@@H]2CC[C@H](O)CC2

InChI

InChIKey=JBDGDEWWOUBZPM-PHIMTYICSA-N
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/t10-,11+

HIDE SMILES / InChI

Molecular Formula C13H18Br2N2O
Molecular Weight 378.103
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:15:44 UTC 2023
Edited
by admin
on Thu Jul 06 21:15:44 UTC 2023
Record UNII
QH6ZT6J071
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMBROXOL, CIS-
Common Name English
CIS-4-(((2-AMINO-3,5-DIBROMOPHENYL)METHYL)AMINO)CYCLOHEXANOL
Systematic Name English
4-HYDROXYDEMETHYLBROMHEXINE, CIS-
Common Name English
AMBROXOL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
CYCLOHEXANOL, 4-(((2-AMINO-3,5-DIBROMOPHENYL)METHYL)AMINO)-, CIS-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60860228
Created by admin on Thu Jul 06 21:15:44 UTC 2023 , Edited by admin on Thu Jul 06 21:15:44 UTC 2023
PRIMARY
CAS
107814-37-9
Created by admin on Thu Jul 06 21:15:44 UTC 2023 , Edited by admin on Thu Jul 06 21:15:44 UTC 2023
PRIMARY
FDA UNII
QH6ZT6J071
Created by admin on Thu Jul 06 21:15:44 UTC 2023 , Edited by admin on Thu Jul 06 21:15:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP