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Basic Information
CAS No.: 15942-05-9
Name: AMBROXOL HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 15942-05-9 (AMBROXOL HYDROCHLORIDE)
Formula: C13H19Br2ClN2O
Molecular Weight: 414.56
Synonyms: MUCOSOLVAN;TRANS-4-((2-AMINO-3,5-DIBROMOBENZYL)AMINO)CYCLOHEXANOL, HCL;TRANS-4-[[(2-AMINO-3,5-DIBROMOPHENYL)METHYL]AMINO]CYCLOHEXANOL MONOHYDROCHLORIDE;2-AMINO-3,5-DIBROMO-N-[TRANS-4-HYDROXYCYCLOHEXYL]BENZYLAMINE HYDROCHLORIDE;AMBROXOL HCL;AMBROXOLHYDROCHLORIDE(EP2001/CP2000);AMBROXOLHYDROCLORIDE;4-[(2-amino-3,5-dibromo-benzyl)amino]cyclohexanol hydrochloride
EINECS: 245-899-2
Boiling Point: 468.6oC at 760mmHg
Flash Point: 237.2oC
Hazard Symbols: Xn
Risk Codes: R22
PSA: 58.28000
LogP: 4.96100
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Chemistry

Molecule structure of Ambroxol HCl (CAS NO.15942-05-9) :

IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol hydrochloride 
Molecular Weight: 414.56376 g/mol
Molecular Formula: C13H19Br2ClN2O
Boiling Point: 468.6 °C at 760 mmHg  
Flash Point: 237.2 °C
Enthalpy of Vaporization: 77 kJ/mol
Vapour Pressure: 1.38E-09 mmHg at 25 °C 
Storage temp.: 2-8 °C
H-Bond Donor: 4
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 413.95322
MonoIsotopic Mass: 411.955266
Topological Polar Surface Area: 58.3
Heavy Atom Count: 19 
Complexity: 259
Canonical SMILES: C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O.Cl
InChI: InChI=1S/C13H18Br2N2O.ClH/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;1H
InChIKey: QNVKOSLOVOTXKF-UHFFFAOYSA-N
EINECS 245-899-2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intraperitoneal 125mg/kg (125mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
dog LD50 oral 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
guinea pig LD50 intraperitoneal 280mg/kg (280mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
guinea pig LD50 oral 1180mg/kg (1180mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
mouse LD50 intraperitoneal 268mg/kg (268mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
mouse LD50 intravenous 138mg/kg (138mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
mouse LD50 oral 2380mg/kg (2380mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 281, 1981.
mouse LD50 subcutaneous 1060mg/kg (1060mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 263, 1981.
rabbit LD50 intravenous 64mg/kg (64mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA		 Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 281, 1981.
rabbit LD50 oral 2597mg/kg (2597mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM		 Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 281, 1981.
rabbit LDLo intraperitoneal 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 889, 1978.
 
rat LD50 intraperitoneal 262mg/kg (262mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: PERITONITIS		 Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 281, 1981.
rat LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 281, 1981.
rat LD50 oral 4203mg/kg (4203mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 263, 1981.
rat LD50 subcutaneous 1489mg/kg (1489mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 263, 1981.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22 
R22: Harmful if swallowed
Safety Statements: 36 
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: GV8423000

Specification

 Ambroxol HCl (CAS NO.15942-05-9) is also called Ambroxol hydrochloride ; Ambroxol lozenge ; CCRIS 8686 ;
Mucoangin ; Mucolear ; Mucosolvan ; NA 872 hydrochloride ; UNII-CC995ZMV90 ; trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride .