기본 정보
- 표준 SMILES
ClCCN(Cc1ccccc1)Cc1ccccc1- InChIKey
GSLWSSUWNCJILM-UHFFFAOYSA-N- 분자식
- C16H18ClN
- 평균 분자량
- 259.77 g/mol
- 단동위원소 질량
- 259.11277726
이름 및 식별자
- 우선 이름
- N-(2-Chloroethyl)dibenzylamine
- IUPAC
- N,N-dibenzyl-2-chloroethanamine
- 현지명
- 디베나민
- 영어명
- Dibenamine
- 분자식
- C16H18ClN
- 분자량
- 259.77
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
51-50-3- PubChem CID
- 5820
- DTXSID
DTXSID20199001- ChEMBL
CHEMBL3305685- UNII
- 43EXU2S56H
- Nikkaji
- J10.688G
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 187
실험 및 물리화학적 성질
Stability/Shelf Life
TURNS YELLOW ON STORAGE & DECOMP ON STANDING TO FORM SOLID POLYMERIC COMPD /CHLOROETHYLAMINES/
STABLE IN ACID SOLN BUT RAPIDLY LOSES ACTIVITY IN NEUTRAL OR ALKALINE AQ SOLUTIONS /HYDROCHLORIDE/
Other Experimental Properties
MP: 192 °C, ALSO GIVEN AS 180-181 °C; PRACTICALLY INSOL IN H2O NEAR NEUTRALITY; SOLUBLE IN DIL ACID: 2% @ PH 2.1, 1% @ PH 2.4, 0.5% @ PH 2.74; SOL IN 95% ALCOHOL, PROPYLENE GLYCOL /HYDROCHLORIDE/
COLORLESS CRYSTALLINE SOLID /CHLOROETHYLAMINE HYDROCHLORIDE/
물리화학적 성질
- 녹는점
- 192 °C · 192 °C
- 끓는 점
- 407.11 °C · 407.11°C (rough estimate)
- 밀도
- 1.0738 · 1.0738 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 산도 계수 (pKa)
- 6.5 · 6.50±0.50(Predicted)
안전 및 규제
독성 정보
Interactions
...ATROPINE APPEARS TO ANTAGONIZE ACTION OF DIBENAMINE OR "DEBLOCK".
REDN IN PRESSOR RESPONSE WITHOUT REVERSAL IS USUALLY SEEN WHEN CAPACITY FOR ADRENERGIC VASODILATATION IS LIMITED BY ANY FACTOR, FOR EXAMPLE, SYMPATHOMIMETIC AMINE USED (NOREPINEPHRINE, PHENYLEPHRINE, OR OTHER AGENTS WITH MINIMAL BETA-ADRENERGIC AGONISTIC ACTIVITY) OF PREPN EMPLOYED...
FORMATION OF 7% FORMALADHYDE INDUCED SC GRANULOMA WAS GREATLY SUPPRESSED BY EPINEPHRINE & SLIGHTLY BY NOREPINEPHRINE. DIBENAMINE WAS A WEAKER EXPTL GRANULOMA SUPPRESSOR.
CENTRAL EFFECTS OF SOME ADRENOLYTICS ON SPONTANEOUS MOTILITY & ON POTENTIATION OF SUBHYPNOTIC DOSES OF SODIUM PENTOBARBITAL WERE STUDIED IN MICE. DIBENAMINE POTENTIATED THE ACTION OF SODIUM PENTOBARBITAL. ALL DRUGS, EXCEPT BRETYLIUM DECR SPONTANEOUS MOTILITY.
For more Interactions (Complete) data for DIBENAMINE (9 total), please visit the HSDB record page.
Human Toxicity Excerpts
DIBENAMINE.../STIMULATES/ CNS TO CAUSE NAUSEA, VOMITING, HYPERVENTILATION, MOTOR EXCITABILITY...CONVULSIONS, PARTICULARLY WHEN RELATIVELY LARGE DOSE IS RAPIDLY INJECTED IV. IN MAN, CHARACTERISTIC LOSS OF TIME PERCEPTION MAY OCCUR.
LOSS OF VASOMOTOR CONTROL CAN RESULT IN POSTURAL HYPOTENSION & REFLEX TACHYCARDIA IN AMBULATORY PATIENTS, OR A SHARP FALL IN BLOOD PRESSURE IN THOSE WHO ARE HYPOVOLEMIC. /ALPHA-ADRENERGIC BLOCKING AGENTS/
OTHER RESULTS OF ALPHA-RECEPTOR BLOCKADE INCL MIOSIS, NASAL STUFFINESS, & INHIBITION OF EJACULATION. /ALPHA-ADRENERGIC BLOCKING AGENTS/
Non-Human Toxicity Excerpts
...TACHYCARDIA IN INTACT ANIMALS IS USUALLY EXAGGERATED BECAUSE PRESSOR RESPONSE IS PREVENTED & REFLEX VAGAL STIMULATION IS MINIMIZED. ...DIBENAMINE INDUCE/S/ REFLEX TACHYCARDIA...
BOVINE BRAIN SODIUM-POTASSIUM ACTIVATED ATPASE WAS IRREVERSIBLY INHIBITED BY DIBENAMINE & DIBENAMINE ANALOGS WHICH ARE ADRENERGIC ALPHA-BLOCKERS.
안전 데이터
- 유해 물질 데이터
- 51-50-3(Hazardous Substances Data)
화학 및 산업
약리 정보
Mechanism of Action
ALPHA-ADRENERGIC BLOCKING AGENTS BIND SELECTIVELY TO ALPHA CLASS OF ADRENERGIC RECEPTORS & THEREBY INTERFERE WITH CAPACITY OF SYMPATHOMIMETIC AMINES TO INITIATE ACTIONS AT THESE SITES. ...DIBENAMINE BIND/S/ COVALENTLY TO ALPHA RECEPTOR & PRODUCE/S/ IRREVERSIBLE & INSURMOUNTABLE TYPE OF BLOCKADE.
...DIBENAMINE HAS RELATIVELY LOW ANTIHISTAMINIC ACTIVITY...
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
용도 및 제조
Methods of Manufacturing
CHLOROETHYLAMINES ARE PREPARED BY ACTION OF THIONYL CHLORIDE ON APPROPRIATE ETHANOLAMINE... FREE BASE IS LIBERATED BY TREATING HYDROCHLORIDE WITH SODIUM HYDROXIDE OR CARBONATE.
RABALD, DIMROTH, GERMAN PATENT 824,208 (1951 TO CF BOEHRINGER, MANN); CA 47, 2206 (1953). /HYDROCHLORIDE/
공급사3 곳
관련 반응
연결된 노트
불러오는 중…