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CYTISINE

HCID 6708720
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
485-35-8
표준 SMILES
O=c1cccc2n1C[C@H]1CNCC2C1
분자식
C11H14N2O
평균 분자량
190.24 g/mol

이름 및 식별자

우선 이름
CYTISINE
영어명
CYTISINE
분자식
C11H14N2O
분자량
190.24

이름 및 동의어

CytisiniclineCytisinSOPHORINE(1R,5S)-1,2,3,4,5,6-Hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-oneTabaxUlexinULEXINECystisine(-)-CytisineCytisinicline/Cytisin (6039-Sopharma)

데이터베이스 식별자

CAS
485-35-8
PubChem CID
6708720
ChEBI
CHEBI:95183

물성

물리화학적 성질

녹는점
154 · 154-156 °C (lit.)
끓는 점
218 °C/2 · 218 °C/2 mmHg (lit.)
밀도
1.0815 · 1.0815 (rough estimate)
굴절률
1.57 · 1.5700 (estimate)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C
용해도
439 · 439그램/리터
산도 계수 (pKa)
6.11 · 6.11, 13.08(at 25℃)
물리적 상태
가루
색상
연노랑
수용성
439 g/L · 439g/L(16ºC)
Merck
14 · 14,2789
InChI
1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChIKey
ANJTVLIZGCUXLD-DTWKUNHWSA-N
SMILES
O=C1C=CC=C2C3CNCC(C3)CN12
LogP
0.172 · 0.172 (est)
NIST
Cytisine(485-35-8)
EPA
Cytisine (485-35-8)

화학적 성질

Off-White to Tan Crystalline Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
HA4025000
ridadr
UN 2811 6.1/PG 3
독성
LD50 in mice (mg/kg): 1.73 i.v.; 9.4 i.p.; 101 orally (Barlow, McLeod)
HS 번호
29399990
risk_code
25-36/37/38
hazard_code
T
safety_code
26-28-36/37-45
포장분류
III
위험 등급
6.1(b)
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터
485-35-8(Hazardous Substances Data)

화학 및 산업

응용 분야 · 4건

개요It is an alkaloid that occurs naturally in several plant genera, such as Laburnum and Cytisus of the family Fabaceae. Pi-Zhen-Ye-Huang-Hua (Thermopsis lanceolata R.Br) contains large amount of cytisine, and it is distributed in the northeast, north, and northwest of China. This herb has been traditionally used for treating cough in China and was recorded in “Yue-Wang-Yao-Zhen,”“Jing-ZhuBen-Cao,”“Zhong-Hua-Ben-Cao,” and “Ning-Xia-Zhong-Cao-Yao-Shou-Ce.”

역사The largest amount of cytisine (about 1–5%) is also found in the seeds of common garden decorative plant Du-Dou (Laburnum anagyroides). In the early twentieth century, cytisine was identified as the toxic component of this plant. The extracts of Laburnum seeds or flowers have been used in traditional medicine for hundreds of years. In the Second World War, the leaves of Laburnum anagyroides were used as a tobacco substitute by soldiers. In 1960s, cytisine was firstly used as a smoking cessation aid in Bulgaria. The pharmacological and clinical studies of cytisine were also conducted in other Eastern European countries such as Poland and Russia. These results were promising. Stoyanov S. and Yanachkova M. studied 70 volunteers with a long experience in smoking. They found that 57% volunteers stopped smoking and 31.4% volunteers decreased cigarettes: reduction of the cigarettes smoked from 20–30 to 3–4 a day. Cytisine was developed and marked as Tabex (Sopharma, Bulgaria), which has been widely distributed in the Eastern Europe .

용도Cytisine occurs in the seeds of Cytisus labur num L. and other Leguminosae.

일반 설명Cystine ((1R,5S)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2a][1,5]diazocin-8-one) displays classical antidepressant action in various animal models of antidepressant efficacy. Infrared and Raman spectral studies suggest that it has two stable conformers.

상·하류 제품 정보

하류 제품

1,5-Methano-8H-pyrido(1,2-a)(1,4)diazocin-8-one, 3-(3-butenyl)-1,2,3,4 ,5,6-hexahydro-, (1R)-N-포르밀시티신

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추가 설명 · 1건

정의ChEBI: An organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as n aid to giving up smoking.