요힘빈
요힘빈 · 요힘빈및그염류 · 17alpha-Hydroxy-yohimban-16alpha-카르복실산메틸에스테르 · Yohimbin · Yocon · Yohimex · Corynine · Aphrosol
식별자 및 물리적 특성
| CAS No. | 146-48-5 |
|---|---|
| 분자식 | C21H26N2O3 |
| 평균 분자량 | 354.4 g/mol |
| 단동위원소 질량 | 354.19434269 g/mol |
| SMILES | COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O |
| InChIKey | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
| PubChem CID | 8969 |
| ChEMBL | CHEMBL15245 |
| ChEBI | CHEBI:10093 |
| EC No. | 205-672-0 |
| DTXSID | DTXSID9040130 |
| 현지명 | 요힘빈 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 65.6 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 555 |
| 의약품 | DEA NFLIS-Drug Category -> HallucinogensPharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP(분배 계수) | 2.732.01 |
| 용해도 | 3.48e-01 g/LTHF, DMSO,클로로포름에 용해됨 |
| Human Drugs | Pharmaceuticals |
| 녹는점 | 241 °C231-233 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 189.51 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]186.5 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 끓는 점 | 487.66°C (rough estimate) |
| 밀도 | 1.1640 (rough estimate) |
| 굴절률 | 1.6500 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.39±0.40(Predicted) |
| 색상 | 베이지색 |
| InChIKey | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
| SMILES | [C@@H]1(O)[C@H](C(OC)=O)[C@]2(C[C@@]3(N(C[C@@]2(CC1)[H])CCC1C2=C(NC3=1)C=CC=C2)[H])[H] |
| LogP(분배 계수) | 2.730 |
| NIST | Yohimbine(146-48-5) |
화학적 성질
Glistening, needle-like alkaloid, soluble in alcohol and ether, very slightly soluble in water.
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic 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 27 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Regulation (EC) No 178/2002 (amended)Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16.alpha.,17.alpha.)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16.alpha.,17.alpha.)-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Hepatotoxicity | In small clinical trials and case series, yohimbine therapy has not been linked to serum enzyme elevations or clinical liver disease. Although yohimbine is often found in weight loss and muscle building herbal combinations, it has not been associated with cases of clinically apparent acute liver injury. |
| RTECS 번호 | ZG1000000 |
| 운송 번호(UN) | 1544 |
| 위험 문구(R) | 23/24/25-39 |
| 위험 표시 | T |
| 안전 문구(S) | 27-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 6.1(a) |
용도
개요
Yohimbine is a natural alkaloid. It was first extracted from the barks of Corynanthe yohimbe, a species of Rubiaceae trees in West Africa. It was reported that, in the dried bark of Pausinystalia johimbe, the content of mixed alkaloids is higher than 6.1%, in which the main component is yohimbine, indicating a great prospect for development . Yohimbe bark has been used as an aphrodisiac in Africa since ancient times. In 1900, it was applied by Kowit and Muller to patients with impotence and paralytic insensitivity caused by neurasthenia and obtained curative effect. From then on, clinical application of yohimbine began. Currently, yohimbine is a pure plant preparation in the treatment of erectile dysfunction with more affirmation and more applications.
역사
Yohimbine has been used as an aphrodisiac for many years. At first, pharmacologists attributed its aphrodisiac effects to psychological effects similar to placebo or increasement of peripheral vascular congestion, rather than real sexual stimulation. Physiologists at the Stanford University first conducted a study on the pharmacological effects of yohimbine and found that yohimbine could increase the mating ability of rats , which was then published on Science in 1984 . In addition, researchers in the Queensland University in Canada conducted experiments on 23 patients with sexual dysfunction. Six of them recovered after taking the drug for 10weeks. In 1987, Canadian scientists confirmed that yohimbine treatment in psychogenic impotence was safe and effective and this drug could restore the patient’ssexual ability . Besides, they proved that this medicine showed good curative effects on organic impotence.
용도
Yohimbine occurs in Corinanthe johimbeK. and Rubiaceae trees. It is also foundin the roots of Rauwolfia serpentina L.and Apocyanaceae. Its derivatives areused therapeutically as adrenergic blockingagents.
일반 설명
Yohimbine (Yocon)is a competitive and selective 2-blocker. The compound isan indolealkylamine alkaloid and is found in the bark of thetree Pausinystalia yohimbe and in Rauwolfia root.