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| CAS No.: | 15942-05-9 |
|---|---|
| Name: | AMBROXOL HYDROCHLORIDE |
| Molecular Structure: | |
|
|
|
| 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: 
Xn
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 .