Yohimbine Hydrochloride

HCID 6169

기본 정보

CAS: 65-19-0
표준 SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.Cl
InChIKey: PIPZGJSEDRMUAW-VJDCAHTMSA-N
분자식: C21H27ClN2O3
평균 분자량: 390.9 g/mol
단동위원소 질량: 390.1710204

개요

See also: Yohimbine (has active moiety); Pausinystalia yohimbe bark (annotation moved to); Amberlite CG 400 (annotation moved to).

이름 및 식별자

우선 이름: Yohimbine Hydrochloride
IUPAC: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
영어명: Yohimbine hydrochloride
분자식: C21H27ClN2O3
분자량: 390.9

이름 및 동의어

YOHIMBINE HYDROCHLORIDE65-19-0Yohimbine HClProwess plainYobine InjectionNB2E1YP49FHydrochloride, AphrodineHydrochloride, YohimbineNSC-19509DTXSID40891272RefChem:56589DTXCID601030458

이름 더 보기

YOHIMBE HCLYohimbe BarkYohimbine HCICorynante YohimbeYobinolTosanpinYohydrolGyniMbineMenolysin

200-600-4AntagonilAphrodine hydrochlorideYohimbine monohydrochlorideYohimbin HClYohimbine (Hydrochloride)C21H27ClN2O3YOHIMBINE CHLORIDE

데이터베이스 식별자

CAS: 65-19-0
PubChem CID: 6169
DTXSID: DTXSID40891272
ChEMBL: CHEMBL537669
UNII: NB2E1YP49F
EC Number: 200-600-4

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 27
형식 전하: 0
복잡도: 555

실험 및 물리화학적 성질

Animal DrugsFDA approved animal drugs -> Active ingredient

Collision Cross Section186 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 288 · 288-290 °C (dec.)(lit.)
굴절률: 103 ° · 103 ° (C=1, H2O)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 O: · H2O: 10 mg/mL
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 2 O: · H2O: 10mg/mL
Merck: 14 · 14,10102
InChIKey: PIPZGJSEDRMUAW-VJDCAHTMSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1[C@@]1(C[C@]3([C@](CC[C@@H]([C@@H]3C(OC)=O)O)([H])CN1CC2)[H])[H].[H]Cl |&1:9,11,12,15,16,r|
LogP: 2.201 · 2.201 (est)
EPA: Yohimbine hydrochloride (65-19-0)

화학적 성질

white to slightly yellow powder, slightly fragrant, slightly bitter taste, easily soluble in chloroform, soluble in methanol, ethanol, slightly soluble in water.

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H300 (86.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationYohimbine hydrochloride: HSNO Approval: HSR003820 Approved with controls

Other Safety InformationIMAP assessments - Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 1 (86.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ZG1015000
ridadr: UN 1544 6.1/PG 2
HS 번호: 29339900
risk_code: 23/24/25-33-23/24
hazard_code: T
safety_code: 22-36/37/39-45-24/25
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.

Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >10

General Manufacturing InformationYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16.alpha.,17.alpha.)-: ACTIVE

응용 분야 · 3건

용도Yohimbine hydrochloride is an Indole alkaloid with α2-adrenergic blocking activity. It is an alpha adrenergic blocker, mydriatic, antidepressant that used in the treatment of neurological disorders and erectile dysfunction.

용도Yohimbine hydrochloride is an α2-adrenergic receptor antagonist. It blocks the central α2-adrenegic receptors in the brain, thus preventing and reducing the effects of xylazine, an α2-adrenergic agonist. The sedative effects and respiratory depression that accompany xylazine administration are both antagonized and reversed by yohimbine. Yohimbine hydrochloride also produces an antidiuretic effect, and increases heart rate and blood pressure.

일반 설명Yohimbine hydrochloride is an indole alkaloid derived from the tree bark. It is an antagonist of α2-adrenergic receptors in the brain, reducing the effects of xylazine, which is an α2-adrenergic agonis.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北常奥药业有限公司027-87058617 13419515565 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65-19-0
표준 SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.Cl
InChIKey: PIPZGJSEDRMUAW-VJDCAHTMSA-N
분자식: C21H27ClN2O3
평균 분자량: 390.9 g/mol
단동위원소 질량: 390.1710204

개요

See also: Yohimbine (has active moiety); Pausinystalia yohimbe bark (annotation moved to); Amberlite CG 400 (annotation moved to).

이름 및 식별자

우선 이름: Yohimbine Hydrochloride
IUPAC: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
영어명: Yohimbine hydrochloride
분자식: C21H27ClN2O3
분자량: 390.9

이름 및 동의어

YOHIMBINE HYDROCHLORIDE65-19-0Yohimbine HClProwess plainYobine InjectionNB2E1YP49FHydrochloride, AphrodineHydrochloride, YohimbineNSC-19509DTXSID40891272RefChem:56589DTXCID601030458

이름 더 보기

YOHIMBE HCLYohimbe BarkYohimbine HCICorynante YohimbeYobinolTosanpinYohydrolGyniMbineMenolysin

200-600-4AntagonilAphrodine hydrochlorideYohimbine monohydrochlorideYohimbin HClYohimbine (Hydrochloride)C21H27ClN2O3YOHIMBINE CHLORIDE

데이터베이스 식별자

CAS: 65-19-0
PubChem CID: 6169
DTXSID: DTXSID40891272
ChEMBL: CHEMBL537669
UNII: NB2E1YP49F
EC Number: 200-600-4

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 27
형식 전하: 0
복잡도: 555

실험 및 물리화학적 성질

Animal DrugsFDA approved animal drugs -> Active ingredient

Collision Cross Section186 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 288 · 288-290 °C (dec.)(lit.)
굴절률: 103 ° · 103 ° (C=1, H2O)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 O: · H2O: 10 mg/mL
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 2 O: · H2O: 10mg/mL
Merck: 14 · 14,10102
InChIKey: PIPZGJSEDRMUAW-VJDCAHTMSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1[C@@]1(C[C@]3([C@](CC[C@@H]([C@@H]3C(OC)=O)O)([H])CN1CC2)[H])[H].[H]Cl |&1:9,11,12,15,16,r|
LogP: 2.201 · 2.201 (est)
EPA: Yohimbine hydrochloride (65-19-0)

화학적 성질

white to slightly yellow powder, slightly fragrant, slightly bitter taste, easily soluble in chloroform, soluble in methanol, ethanol, slightly soluble in water.

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H300 (86.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationYohimbine hydrochloride: HSNO Approval: HSR003820 Approved with controls

Other Safety InformationIMAP assessments - Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 1 (86.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ZG1015000
ridadr: UN 1544 6.1/PG 2
HS 번호: 29339900
risk_code: 23/24/25-33-23/24
hazard_code: T
safety_code: 22-36/37/39-45-24/25
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.

Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >10

General Manufacturing InformationYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16.alpha.,17.alpha.)-: ACTIVE

응용 분야 · 3건

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北常奥药业有限公司027-87058617 13419515565 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

화합물 노트

불러오는 중…

기본 정보

개요

이름 및 식별자

이름 및 동의어

데이터베이스 식별자

물성

구조 계산 물성

실험 및 물리화학적 성질

물리화학적 성질

화학적 성질

안전 및 규제

GHS 분류

유해성 정보

안전 데이터

화학 및 산업

약리 정보

용도 및 제조

공급사100 곳

관련 반응

화합물 노트

기본 정보

개요

이름 및 식별자

이름 및 동의어

데이터베이스 식별자

물성

구조 계산 물성

실험 및 물리화학적 성질

물리화학적 성질

화학적 성질

안전 및 규제

GHS 분류

유해성 정보

안전 데이터

화학 및 산업

약리 정보

용도 및 제조

공급사100 곳

관련 반응

화합물 노트